The title compound, C₃H₂BrN₃O₂, bearing an H₂O molecule, crystallizes in the monoclinic space group P2₁/c with a = 11.3794(7), b = 6.7248(6), c = 8.6383(10)Å, β = 98.792(5)°, V = 653.27(10)ų and Z = 4, resulting in a density, D_calc, of 2.135 g/cm³. Each 1,2,4-triazine molecule is linked with seven adjacent molecules, including three H₂O molecules. The molecules of the title compound are linked by a combination of extensive N-H…O, O-H…O intermolecular hydrogen bonds and N…Br interactions, leading to a continuous wave framework structure. The framework layers are further stabilized by intermolecular short contacts: N…O, C…O and Br…C.

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The title compound, 2,4,9-trimethylpyrido[3,2-c]coumarin, crystallizes in the triclinic space group P1 with the following unit-cell parameters: a = 9.4892(5), b = 10.4245(6), c = 7.7307(4)Å, α = 94.556(3), β = 120.824(3), γ = 110.532(3)°, Z = 2. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data, and refined by full-matrix least-squares procedures to a final R-value of 0.0411 for 1658 observed reflections. Molecules are linked into centrosymmetric dimers by means of paired C-H…O hydrogen bonds. The crystal structure is stabilized by a number of π-π stacking interactions.

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The title compound, (±)-5-benzoyl-2,3-dihydro-1H-pyrrolidine-1-carboxylic acid, C₁₅H₁₃NO₃, also known as Ketorolac, crystallizes in the orthorhombic space group Pbca with unit-cell parameters: a = 7.0857(2), b = 8.0605(3), c = 43.9209(13)Å, α = β = γ 90.0000°, Z = 8. The dihedral angle between the mean planes of the benzyl and pyrrolidine groups is 45.7(9)°. Intermolecular hydrogen bonding C-H…O interactions and π-π stacking interactions between nearby pyrrolidine rings influence the twist angle between these two groups as well as crystal packing effects.

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The title compound, 5-amino-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carbonitrile, C₁₀H₅Cl₃N₄, crystallizes in the orthorhombic space group, Pca2₁, with two independent molecules (A and B) in the unit cell, and cell parameters a = 12.9035(2), b = 14.3155(2), c = 12.8187(2)Å, α = β = γ = 90.0°, Z = 8. The dihedral angle between the mean planes of the trichlorophenyl and pyrazole groups is 87.3(4)° (A) and 79.3(9)° (B), respectively. Intermolecular hydrogen bonding N-H…N interactions and crystal packing effects influence the twist angle between these two groups.

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The complete structure of the title compound, C₁₇H₁₆O₆, isolated from the roots of Oxytropis falcata Bunge, was confirmed unambiguously by a single-crystal X-ray analysis. The absolute configuration was established by circular dichroism (CD). The bond distances and angles are within the expected ranges. The quinone ring is linked to the chroman ring by C(3) at an equatorial position. The crystal structure is also stabilized by intermolecular hydrogen bonds.

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The title compound, tetraquaorotatonickel(II) monohydrate, C₅H₁₂N₂O₉Ni, crystallizes in the monoclinic space group P1 with the following unit-cell parameters: a = 7.2282(4)Å, b = 8.2959(4)Å, c = 10.0611(5)Å, α = 80.115(4)°, β = 70.479(4)°, γ = 65.779(4)° and Z = 2. The Ni^II ion is coordinated by a deprotonated N atom and the carboxylate O atom of the orotate ligand and four aqua ligands in a distorted octahedral geometry. Intermolecular N-H…O and O-H…O hydrogen bonds produce R₂²(8), R₂²(12), R₂²(16), R₃²(8), R₄³(8) and R₄⁴(12) rings, which lead to a one-dimensional polymeric chains. An extensive three-dimensional network of N-H…O and O-H…O hydrogen bonds, π-π and N-H…π interactions are responsible for crystal stabilization.

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The title compound crystallizes in the triclinic space group P1 with a = 9.55(3), b = 10.61(4), c = 10.76(4)Å, α = 101.25(6), β = 95.96(6), γ = 94.64(6)°, V = 1058(7)ų, and Z = 2. An X-ray structure analysis of this compound proves a surprising constitution of a product, which is formed in a new type of rearrangement reaction.

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The salt 1-2 diphenyl ethylenediammonium chloride crystallizes at room temperature in the monoclinic system with polar space group P2₁; the unit-cell dimensions are: a = 8.720(2), b = 6.243(2), c = 13.972(5)Å, β = 106.67(3)° with Z = 2. The structure consists of [C₁₄H₁₈N₂]²⁺ cations and isolated chlorine anions. These entities are linked together through N-H…Cl hydrogen bonds, forming a three-dimentional network.

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In the molecular structure, the central pyrimidine ring is significantly puckered, assuming an intermediate conformation between a screw boat and boat form. In the solid state, the short intramolecular C-H…S, intermolecular C-H…O and π-π stacking interactions contribute to the crystal packing.

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The title compound, N-(3-methyl-5-phenyl-3,5-dihydro-4H-1,2,4-triazol-4-yl)benzamide, C₁₆H₁₄N₄O, crystallizes in the monoclinic space group P2₁/c with the following unit cell parameters: a = 10.6011(6)Å, b = 7.5676(4)Å, c = 19.6363(11)Å, β = 95.062(5)° and Z = 4. Molecules are linked principally by O-H…N hydrogen bonds involving the water OH₂ group and a triazole N atom, forming R₄⁴(10) and R₄⁴(14) rings, which link to give a one-dimensional network of molecules. An extensive two-dimensional network of N-H…O, C-H…O and O-H…N hydrogen bonds, with π-π and π-ring interactions, are responsible for crystal stabilization.

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The coordination polymer Cd₃(dppz)₂(cis-chdc)₂(trans-chdc) (dppz = dipyrido[3,2-a:2′,3′-c]phenazine and chdc = 1,4-cyclohexanedicarboxylate) (1), with the formula C₆₀H₅₀Cd₃N₈O₁₂ was synthesized and the crystal structure was determined by single-crystal X-ray diffraction. The complex belongs to a triclinic system, space group P1 with a = 8.6338(17)Å, b = 10.774(2)Å, c = 14.872(3)Å, α = 77.23(3)°, β = 81.77(3)°, γ = 82.80(3)°. The chdc^2- carboxylates bridge the Cd(II) cations to form rare trinuclear Cd(II) clusters. The cis-chdc^2- ligands are held together by the trinuclear Cd(II) clusters to generate a double-stranded chain. Further, the trans-chdc^2- ligands bridge adjacent double-stranded chains to yield an interesting two-dimensional framework.

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A palladium dichloride complex containing a fluorinated benzylamine derivative has been synthesized and characterized fully. The title compound, trans-dichlorodi((4-fluorophenyl)methanamine)palladium(II), crystallized in the monoclinic space group P2(1)/n with cell parameters a = 7.3576(6), b = 16.2650(13), c = 10.6518(8)Å, β = 95.292(2), V = 1200.43(16)ų, and Z = 2.

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The title complexes [(C₅H₅)Co(PMe₃)₂] 1 and [(C₅H₅)Co(PMe₃)(C₂H₄)] 2b adopt the two-legged piano-stool molecular geometry, with a remarkably similar coordination geometry around the cobalt atom. The rather long carbon-carbon bond of the ethylene ligand in 2b underlines the pronounced donor properties of the PMe₃ ligand, causing a highly basic site.

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The crystal structure of [Li(HL)] (H₂L = 2,2′-(biphenyl-2,2′-diylbis(oxy))diacetic acid) was studied by X-ray diffraction methods. This complex crystallized in the monoclinic space group P2₁/c, with a = 13.970(11), b = 7.098(6), c = 16.097(12)Å, β = 103.910(9)°, Z = 4, V = 1549(2)ų, and R = 0.0768. The crystal structure shows that the complex units are linked by classical intermolecular hydrogen bonds between an uncoordinated carboxyl of one complex molecule and an oxygen atom from a coordinated carboxyl of the adjacent complex molecule to form a single-helical chain. Two infinite homochiral helices self-assemble into a dimer through a non-classical C-H…π hydrogen bonding interaction.

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The crystal structure of [Cu₂I₂L₂], L = 1,3-bis(2-methoxyphenyl)triazene was determined by X-ray diffraction. The complex crystallizes in the monoclinic system, space group P2₁/c with a = 9.0976(8), b = 12.4229(12), c = 14.4204(11)Å, β = 106.582(3)°, V = 1562.0(2)ų, Z = 2. The structure was solved by the full-matrix least-squares on F² and had a refined R value of 0.0245 for 3486 reflections (I > 2σ(I)). The Cu₂I₂ moiety is coordinated by two molecules of the ligand via azide nitrogen and oxygen from a methoxy group in a trigonal pyramidal geometry.

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A novel coordination polymer of cadmium(II) with 2-hydroxy-N′-(propan-2-ylidene)benzohydrazide was synthesized and the structure was characterized by X-ray analysis. The title complex was crystallized in a monoclinic system, space group C2/c with a = 12.4693(8)Å, b = 8.9986(8)Å, c = 21.6986(18)Å, β = 99.480(2)°, V = 2401.5(3)ų, Z = 4. The central Cd(II) atoms are six-coordinated by four O atoms and two N atoms, giving approximately octahedral environments. In the crystal packing of the title complex, molecules are connected by intramolecular O-H…N and intermolecular O-H…O hydrogen bonds, forming a two-dimensional layer parallel to the ab plane.

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The complexes of trinuclear TiCl₃-O-TiCl₃/TiCl₂(O-(R)-mandelic acid methylester)₂ I, C₁₈H₁₈Cl₈O₇Ti₃, and dimeric TiCl₃O-rac-mandelic acid methylester II, C₁₈H₁₈Cl₆O₆Ti₂, were determined unambiguously by X-ray diffraction. Both crystal structures contain one solvent molecule toluene per complex. In structure I there are five independent complexes in the asymmetric unit cell. The formation of both the crystal structure as well as the coordination sphere of titanium is controlled sensitively by the chirality of mandelic acid methylesters.

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In the six-coordinated aluminum complex present in the title compound, [Al(C₁₄H₁₅N₂O₃S)₃]·C₂H₄Cl₂, the Al(III) center adopts a highly distorted octahedral geometry, ligated by the N atoms and O atoms of three 8-hydroxy-5-piperidinylquinolinesulfonamide ligands. This octahedrally coordinated complex, meridional Al(SQ)₃, crystallizes in the orthorhombic space group P2₁2₁2₁, lattice parameters _a = 14.099(2)Å, b = 15.960(2)Å, c = 19.537(3)Å, V = 4396.1(12)ų, Z = 4.

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The crystal structure of the title compound, C₁₄H₁₂N₂O₄, was determined by a single-crystal X-ray diffraction technique, (Fig. 1). The title compound crystallizes in the orthorhombic space group Pca2₁ with the following unit-cell parameters: a = 18.4391(15)Å, b = 4.2710(2)Å, c = 32.2187(16)Å and V = 2537.3(3)ų. The crystal data were solved with a final R = 0.062 using 2394 independent reflections. There are two molecules in the asymmetric unit. The title compound adopts the keto-amine tautomeric form. In the structure, there are N-H…O and C-H…O intramolecular hydrogen bonds and C-H…O intermolecular hydrogen bonds.

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The X-ray crystal structure of the antileishmanial 3-O-acetyloleanolic acid was established. It crystallizes in the orthorhombic space group P2₁2₁2₁. The absolute configuration was determined by calculating the F(+)/F(-) ratios of Bijvoet pairs. Solid-state data could be used to clarify the mechanism of action implicating this antileishmanial hemisynthetic compound.

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The structure of the title compound, C₂₂H₂₆N₂O₄, was prepared by the reaction of 3-methoxysalicylaldehyde and trans-1,2-diaminocyclohexane in ethanol. There is a half molecule in the asymmetric unit, and the other half at the symmetry position (2-x, -y, 1-z). It belongs to the space group P2₁/n with cell parameters a = 6.3312(11), b = 23.967(3), c = 6.775(6)Å, β = 108.918(10)°.

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A co-crystal of tetrakis(guanidinium) bis(eosinate) hexahydrate (I) was synthesized, and the molecular and crystal structures of (I) were determined by a single-crystal X-ray diffraction technique. The crystal system is triclinic with a space group of P1 and Z = 4. The unit-cell dimensions are a = 14.4774(8)Å, b = 14.7735(8)Å, c = 15.9316(1)Å, with α = 64.739(1)°, β = 70.185(1)°, γ = 70.185(1)°, V = 2871.22(17)ų. The final R value is 0.0462 for 9198 observed reflections (I > 2σ(I)). The crystal packing is predominantly stabilized by hydrogen-bond interactions.

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The compound, (2E)-1-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)prop-2-en-1-one (I), C₁₆H₁₁ClO₃, crystallizes in the monoclinic crystal system with space group P2₁/c and cell constants: a = 22.7231(15), b = 4.9239(4), c = 11.9995(7)Å, β = 99.953(6)°, V = 1322.37(16)ų, Z = 4. (2E)-1-(1,3-Benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one (II), C₁₈H₁₆O₅, crystallizes in the triclinic crystal system, space group P1 with a = 8.2961(2), b = 13.8829(6), c = 14.6713(7)Å, α = 64.185(4), β = 83.560(3). γ = 84.966(3)°, V = 1510.10(10)ų, Z = 4. Hydrogen bonding and crystal packing effects influence the twist angle between the mean planes of the 1,3-benzodioxol-5-yl and benzene groups in both I and II, while π-π stacking interactions help to stabilize the crystal packing.

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The title compound, cis-[Co(tren)(CN)₂](ClO₄)·H₂O (tren = tris(2-aminoethyl)amine), was synthesized by the reaction of Co(ClO₄)₂·6H₂O with tren and KCN under the reflux condition, and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P2₁/c with a = 8.333(3), b = 15.922(5), c = 11.447(4)Å, β = 97.665(6)°, V = 1505.0(9)ų, Z = 4, C₈H₂₀ClCoN₆O₅, Mr = 374.68, D_c = 1.654 g/cm³, μ = 1.348 mm^-1, S = 1.068, F(0 0 0) = 776, R = 0.0438 and wR = 0.1045. The complex consists of one [Co(tren)(CN)₂]⁺ cation, one ClO₄^- anion and one water molecule. The six-coordinated Co atom presents a distorted octahedral geometry with four nitrogen atoms from tren, and the remaining cis positions occupied by the carbon atoms of the cyanide groups.

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In the crystal structure of the title compound, C₃₂H₃₀N₂, all of the four six-membered rings that constitute the diazaadamantanone cage adopt chair conformations. Two of the four phenyl substituents occupy axial, and the other two occupy equatorial positions relative to their respective C₅N rings of the adamantane framework. There are no hydrogen-bonded interactions between the two molecules in the unit cell. The crystal packing is characterized by weak C-H…p interactions.

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The title compound was prepared by reacting pyrimethamine [2,4-diamino-5-(p-chlorophenyl)-6-ethyl pyrimidine] and picolinic acid, [C₁₂H₁₄ClN₄, C₆H₄NO₂] in methanol. It crystallizes in the monoclinic P2₁/c space group. The unit-cell parameters are a = 9.5731(2) b = 8.7449(2) c = 21.8582(5)Å, β = 99.9590(10)°. The final R-value is 0.0662 for 8517 measured reflections. The asymmetric unit contains a pyrimethamine cation and a picolinate anion. The protonated N1 atom is hydrogen bonded to one of the oxygen atoms via a N-H…O hydrogen bond. The carboxyl oxygen atom bridges the 2-amino group and the 4-amino group on either side in addition to the base pairing to form a DADA array (D = donor & A = acceptor in hydrogen bonding) of quadruple hydrogen bonding. The crystal structure is further stabilized by C-H…O, C-H…N and aromatic stacking interactions.

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The title compound [Co(C₇H₄O₂I)₂(C₁₀H₁₄N₂O)₂(H₂O)₂] is a two-dimensional hydrogen-bonded supramolecular complex. The complex crystallizes in the triclinic space group P1 with unit-cell parameters a = 7.2964(13), b = 8.6047(17), c = 16.745(3)Å, α = 93.034(15), β = 101.574(15), γ = 111.975(14)° and Z = 1. The Co(II) ion resides on a centre of symmetry, and is in an octahedral coordination environment comprising two pyridyl N atoms, two carboxylate O atoms and two O atoms from water molecules. Intermolecular C-H…O and O-H…O hydrogen bonds produce R₂²(16), R₂²(18) and R₂²(20) rings, which lead to one-dimensional polymeric chains. An extensive two-dimensional network of C-H…O and O-H…O hydrogen bonds, π-π and C-H…π interactions are responsible for crystal stabilization.

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N-Benzoyl-N′,N″-bis(2-ethylhexyl)phosphoric triamide crystallizes in the triclinic space group P1 with a = 9.9333(16)Å b = 10.5356(17)Å c = 12.343(2)Å α = 77.34(0)° β = 85.68(0)° γ = 85.09(0)° and Z = 2. The crystal structure indicates disorder in two amine groups that are connected to a phosphor atom. The molecule is obtained in the form of a one-dimensional polymer via intermolecular N-H…O hydrogen bonds. The environment of the three nitrogen atoms is planar, and the P-N bond lenghts are significantly shorter than the P-N single bond.

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The title complex (C₁₄H₁₈MnN₄O₁₀) was synthesized and structurally characterized by single-crystal X-ray diffraction. This complex crystallized in the triclinic system, space group P1, with a = 10.757(4)Å, b = 13.291(4)Å, c = 14.660(5)Å, α = 64.997(5)°, β = 79.437(5)°, γ = 88.470(5)°, Z = 4, V = 1864.2(11)ų. The final R value was R₁ = 0.0764 for 9688 measured reflections. Additional hydrogen bonding, ion pairing, π-π, and C=O-π stacking interactions give rise to a three-dimensional network structure.

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The title compound, 3-ethyl-2-methyl-1H-[1,10]phenanthrolin-4-one, C₁₅H₁₄N₂O, crystallizes in the monoclinic space group P2₁/n with unit-cell parameters: a = 8.1941(8), b = 12.3569(12), c = 11.9673(12)Å, β = 105.214(2)°, Z = 4. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at 100 K and refined by full-matrix least-squares procedures to a final R-value of 0.0577 for 1818 observed reflections. There is a strong intramolecular hydrogen bond between the two phenanthroline N atoms. The characteristic pattern observed in the packing diagram is the appearance of chains of molecules packed together to form well-defined layers.

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The title compound, 3,3,6-trimethyl-3,4-dihydroisocoumarin, C₁₂H₁₄O₂, crystallizes into monoclinic space group P2₁/c with unit-cell parameters: a = 22.303(4), b = 7.0439(11), c = 22.589(4)Å, β = 118.624(2)°, Z = 12. The crystal structure was solved by direct methods and refined to a final R-value of 0.0698 for 3521 observed reflections. There are three crystallographically independent molecules in the asymmetric unit. In molecules A and B the heterocyclic ring adopts a distorted half-chair conformation, whereas in molecule C the ring adopts a distorted sofa conformation. The C-H…O type of intermolecular hydrogen bonds and C-H…π weak interactions stabilize the molecules in the unit cell.

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The title compound, a hydrogen-bonded linear chain of pseudodimers, Mn(C₁₉H₁₉N₂O₄)(H₂O)₂]NO₃·H₂O, (I), has been determined. The complex affords an elongated octahedral MnN₂O₄ coordination environment, geometry with the four donor atoms of the tetradentate Schiff base in the equatorial plane and with two aqua ligands in axial positions with Mn-O = 2.238(4) and 2.256(3)Å.

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The title compound, ethyl 6,6′-(1,2-ethanediyl)-4,4′-bis(trifluoromethyl)salicylate, crystallized in the triclinic sytem, space group P1, with cell constants a = 4.8296(3)Å, b = 10.1649(5)Å, c = 11.4127(6)Å, α = 108.086(2)°, β = 99.641(2)°, γ = 95.665(5)°, V = 518.24(5)ų and Z = 1. The molecule is almost planar, and possesses a centre of inversion. Intramolecular hydrogen bonds were found between the phenolic OH group and the carboxylic oxygen with a distance of 251.32(19) pm between the oxygen atoms.

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The title compound, N-salicylidene-2-hydroxy-5-chlorobenzylamine, was synthesized and the crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the monoclinic space group P2₁/c with a = 11.2114(15)Å, b = 12.5960(17)Å, c = 8.5169(12)Å, β = 96.039(2)°, V = 1196.1(3)ų, D_x = 1.453 g/cm³, and Z = 4. The R1 and wR2 values are 0.0358 and 0.0949, respectively, for 2805 reflections. The molecule is not planar with a dihedral angle between the two aromatic rings of 66.51(3)°.

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The title compound, tetrakis(alaninato)di(μ)aquadicobalt(II)monohydrate, is a three-dimensional hydrogen-bonded supramolecular complex, which crystallizes in the monoclinic space group P2₁/c with unit-cell parameters a = 13.7266(7), b = 4.9866(2), c = 19.4759(10)Å and Z = 2. The Co(II) ion is in an octahedral coordination environment comprising two amino N atoms, two carboxylate O atoms and two O atoms from water molecules. The molecules are linked principally by N-H…O hydrogen bonds involving the amino NH₂ groups and carboxylate O atoms, forming R₂²(8) and R₂²(12) rings that link to give a one-dimensional network of molecules. The N-H…O hydrogen bonding is supported by three different O-H…O hydrogen bonds from the water O atoms to either a carboxylate O atom or water O atoms in neighbouring molecules. The combination of the intermolecular N-H…O and O-H…O hydrogen bonds produce R₂²(4), R₂²(8), R₂²(12) and R₆⁶(32) rings, which lead to three-dimensional polymeric chains.

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The compound dysprosium(III) 2-metoxybenzoate, {[Dy(2-MeO-Bz)₂μ-(2-MeO-Bz)(H₂O)₂]₂·4H₂O}_n (2-MeO-Bz = 2-methoxybenzoate), was synthesized from a reaction mixture containing DyCl₃ and Na(2-MeO-Bz), and characterized by single-crystal X-ray diffraction. The molecular structure showed dinuclear units in which each Dy(III) ion is coordinated by nine oxygen atoms. The carboxylato groups are bound to the dysprosium centers in two modes: bidentate chelating and tridentate chelating-bridging. Besides this, the occurrence of hydrogen bonds involving a coordinated water molecule and carboxylato groups leads to the formation of helicoidal chains along the crystal lattice, resulting in a supramolecular one-dimensional polymer.

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The title compound, C₁₅H₁₄O₃, crystallizes in the monoclinic space group P2₁/c with unit-cell parameters a = 12.8201(9), b = 12.3985(11), c = 7.6257(6)Å, β = 90.930(9)°, Z = 4. The dihedral angle between the mean planes of the methyl-2benzoate ring and the benzyloxy ring is 8.0(2)°. Intermolecular hydrogen-bonding C-H…O interactions and π-π stacking interactions between nearby benzoate rings influence the twist angle between these two groups, and help to stabilize the crystal packing in the unit cell.

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The molecular structure of the title compound, [Fe(oep)(2,4-Me₂pcyd)] (where oep is dianion of octaethylporphyrin and 2,4-Me₂pcyd is 2,4-dimethylphenylcyanamide), was determined by single-crystal X-ray diffraction. Crystal data: crystal system, triclinic; space group, P1 and Z = 2, a = 12.3969(8)Å, b = 13.8021(9)Å, c = 14.1594(9)Å, α = 61.093(3)°, β = 68.734(3)°, γ = 71.950(4)°, R₁ = 0.046; wR₂ = 0.094 for all data.

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The title compound, [2,6-(CH₃)₂C₆H₃NH₃]₆P₆O₁₈·4H₂O, crystallizes in the monoclinic space group P2₁/c with the unit-cell parameters: a = 13.855(6), b = 17.383(5), c = 12.696(4)Å, β = 92.15(4)°, V = 3135.5(19)ų, Z = 2 and D_x = 1.355 g cm^-3. The atomic arrangement can be described by inorganic layers built of P₆O₁₈ rings and water molecules, parallel to the (b, c) plane and between which are located the 2,6-xylidinium cations. The grouping is maintained by different types of interactions (electrostatic, H-bonds and van der Waals).

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The structure of the title compound was determined by X-ray crystallography. A symmetry operation (1/2-x, 1/2+y, 1/2-z) generates the whole molecule. The compound crystallized in a monoclinic system, and was characterized as follows: P2₁/n: a = 12.8340(11)Å, b = 17.8961(15)Å, c = 12.5827(10)Å, β = 90.333(7)°, z = 4, V = 2889.93(4)ų. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F² to final values of R₁ = 0.0555 and wR₂ = 0.1668. The structure consists of an iron four butterfly structure overbridged by 1,4-diphenyl-1,3-butadiyne. Carbon atoms in one alkyne group of 1,3-diyne bond to the wing-tip iron atoms by (η²:2π)-bonds with atomic distances of Fe3-C1 2.001(6), Fe3-C3 1.968(6), Fe4-C1 1.985(6), and Fe4-C3 2.022(6)Å, and to the hinge iron atoms by (η¹:2σ)-bonds with bond lengths of Fe2-C1 1.955(6) and Fe1-C3 1.989(6)Å. However, the dihedral angle between the two Fe₃-triangles is 108.65°, and two carbon mono-oxide are face-capped on the wings with an atomic distance of Fe-C 1.900(8) - 2.065(7)Å.

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The crystal structure of the title compound, 1,3-bis(2-cyanophenyl)triazene, shows a dimmer formation between two molecules of L through intermolecular hydrogen bonds D-H…(A1, A1′). The directions of the aromatic rings indicate the presence of strong face-to-face π-π stacking interactions and intermolecular C-H…N hydrogen bonds. These interactions extend the two-dimensional chains further into a three-dimensional network.

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The mononuclear complex [Cu^II(H₄bzphen)]·CH₃OH, [H₆bzphen = N,N′-bis-2,3,4-trihydroxybenzylidene-1,2-phenylendiamine] was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P2₁/n and Z = 4 with cell parameters a = 14.601(14)Å, b = 8.574(3)Å, c = 15.953(9)Å, β = 109.49(8)°, V = 1882.8(21)ų. H₆bzphen acts as a tetradentate planar ligand, and the copper(II) has tetragonal planar geometry. The crystal packing is stabilized by inter-molecular π-π stacking interactions and hydrogen bonds.

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The title compound (I), C₁₄H₁₇NO₂, was synthesized and the structure was investigated by X-ray crystallography. The compound was obtained by an Aldol condensation, and crystallized in the orthorhombic space group P2₁2₁2₁ with cell parameters a = 6.6758(9), b = 11.6866(15), c = 16.348(2)Å, V = 1275.4(3)ų and Z = 4. The crystal structure is stabilized by inter and intramolecular C-H…O hydrogen bonds.

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The title compound, [Rh(phen-dione)₂]PF₆, where phen-dione is 1,10-phenanthroline-5,6-dione, crystallizes in the monoclinic space group P2₁/c (no. 14), with a = 9.5859(4)Å, b = 17.6272(8)Å, c = 13.5252(6)Å, β = 91.025(1)°, V = 2285.02(17)ų, Z = 4, T = 100 K, R(F) = 0.0329, wR(F²) = 0.0894. The coordination polyhedron about the Rh(I) atom is a distorted [RhN₄] bisphenoid with two independent phen-dione as ligands.

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The title compound, C₁₄H₂₄N₆O₄S, was prepared by the reaction of ethyl N-(3-tossulfonyl)carbamate with metformin. It was crystallized in the triclinic system, space group P1 with a = 6.894(3)Å, b = 8.323(4)Å, c = 17.184(8)Å, α = 84.119(7)°, β = 84.028(6)°, γ = 75.479(6)°, V = 946.4(7)ų, Z = 2, R = 0.0426. The molecules are linked by two kinds of hydrogen-bonds, N-H…N and N-H…O, generating an extended two-dimensional supramolecular network structure in the ab plane.

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The single-crystal structure of 2-S-(6′-deoxy-1′,2′:3′,4′-di-O-isopropylidene-α-D-galacto pyranos-6′-ylthio)-3-methylquinoxaline (C₂₁H₂₆N₂O₅S) was determined at 293 K and refined to R = 0.0373 for 3634 observed reflections. This crystal is orthorhombic, P2₁2₁2₁ with Z = 4. The unit-cell dimensions are: a = 11.0592(9)Å, b = 11.3500(7)Å, c = 16.9656(10)Å and V = 2129.6(3)ų. Molecules are stacked with C-H…N hydrogen bonds.

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The title compound, a cyclohexylammonium salt of N-(2,2-difluoro-2-phosphonoethanethioyl)aspartate, {(C₆H₄F₂NO₇PS)^4-. 4[(C₆H₁₁-NH₃)⁺]} crystallizes in the triclinic space group P1 with the following cell parameters: a = 11.335(2)Å, b = 12.849(3)Å, c = 14.353(3)Å, α = 83.14(3)°, β = 86.75(3)°, γ = 84.81(3)°, V = 2064.7(7)ų, Z = 1 and D_x = 1.184 g cm^-3. The structure was refined to a final R value of 0.0745 for 5790 reflections [I>2σ(I)]. This structure consists of two anionic N-(2,2-difluoro-2-phophonoethanethioyl)aspartate moieties and eight cationic cyclohexylammonium entities; among them, three are disordered. In addition, one water and one ethanol molecules are present. X-ray analysis shows that it possesses a sandwich-type layer structure, consisting of mutually stacking polar layers with an important hydrogen-bonding network and hydrophobic layers consisting of disordered cyclohexyl parts of cationic moieties.

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The title compound, 3-[1-(4-bromophenylamino)ethylidene]-6-methylpyran-2,4-dione, C₁₄H₁₂BrNO₃, crystallizes in orthorhombic space group Pbcn, with cell parameters a = 26.7145(7), b = 10.1617(3), c = 9.7098(2)Å, V = 2635.87(12)ų, D_x = 1.6236 Mg/m³. The structure was refined to a final R = 0.0428 using 4345 unique reflections. The molecule adopts the keto-amine tautomeric form; with the hydroxyl H atom located on the N atom and the NH group and oxo O atom execute a strong intramolecular N-H…O hydrogen bond. The N-H…O hydrogen-bonded ring is planar and coupled with the pyronic ring.

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The title compound was synthesized and characterized by elemental analysis, spectroscopic data such as IR, ¹H NMR, ¹³C NMR, and X-ray diffraction analysis. The compound crystallizes in the orthorhombic crystal class in the space group Pbca. The final residual factor, R1, is 0.0510. The molecule has trans-stereochemistry and two chiral centers, and thus represents a racemic mixture.

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The crystal structure of 5-methyl-4-[(4-methylbenzylidene)amino]-2,4-dihydro[1,2,4]triazole-3-thione was determined to be monoclinic, with space group P2₁/n, with lattice parameters a = 7.3386(3)Å, b = 11.3860(1)Å, c = 14.3379(10)Å, β = 91.670(1)°, V = 1197.53(10)ų, Z = 4, and D_calc = 1.288 Mg/m³. The two ring systems in the molecule are almost coplanar. The molecular packing is stabilized by a N-H…S type hydrogen bonding interaction. This interaction forms a centrosymmetric dimer in the crystal.

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