The crystal structure of the 1:2 dimethylsulfoxide solvate of 4,4′-diphenyl-2,2′-dithioxo-[4,4′-biimidazolidine]-5,5′-dione(I) has been determined by X-ray diffraction. The crystal belongs to space group C2/c with cell dimensions of a = 23.81(1)Å, b = 9.884(5)Å, c = 12.536(8)Å, β = 117.38(1)°. The compound, C₁₈H₁₄N₄O₂S₂·2C₂H₆OS, crystallizes with half a molecule in the asymmetric unit, the molecule being centrosymmetric. The centre of inversion lies on the middle of the C(3)-C(3)′ bond. In crystals, the molecules form two N-H…O cyclic hydrogen bonds in a cyclic R₂²(12) arrangement, each of which forms on either side. DMSO molecules are hydrogen-bonded to the amide N-H groups. This hydrogen bond network forms an infinite tape structure along the c-axis.

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The title compound, C₂₂H₁₉N₃O₃, was synthesized and the structure was investigated by X-ray crystallography. It crystallizes in the monoclinic system, space group P2₁/c with a = 14.8281(15)Å, b = 11.8051(14)Å, c = 11.2260(11)Å, β = 106.744(2)°, V = 1881.8(3)ų, Z = 4, R = 0.0489. The N-H…O hydrogen bonds between the compound and the solvent molecule stabilize the crystal structure by causing the formation of a one-dimensional chain structure.

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The title compound, C₉H₁₀N₄O₂S, crystallizes in the triclinic system, space group P1, with cell constants a = 7.5330(2)Å, b = 7.9138(3)Å, c = 10.2635(3)Å, α = 109.313(1)°, β = 101.626(1)°, γ = 90.405(1)° and Z = 2. The oxime group adopts a trans conformation, while the acryloyl group is in a cis conformation. The molecular packing is influenced by the C-H…N intermolecular hydrogen bonds and π…π interactions.

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The title compound, C₁₆H₁₀Br₄, crystallizes in the monoclinic system, space group P2₁/c with cell parameters of a = 14.525(5), b = 6.588(2), c = 16.327(6)Å, β = 93.440(4)°, V = 1559.5(10)ų, and Z = 4. The molecule adopts a butterfly-shaped roof structure with pseudo-C_2v symmetry.

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A novel proton-transfer compound, (pipzH₂)(3,5-pydc), was synthesized from the reaction of pyridine-3,5-dicarboxylic acid (3,5-pydcH₂) and piperazine (pipz). The crystal structure was determined by single-crystal X-ray diffraction. This compound crystallized in the monoclinic system and space group P2₁/c with four formula units in the unit cell. The unit cell parameters are: a = 8.076(2)Å, b = 12.842(3)Å, c = 11.571(3)Å, and β = 105.97(2)°. The final R value is 0.0320 for 5125 measured reflections. The most important feature of this crystal is the presence of N-H…O, N-H…N and C-H…O hydrogen bonds with D…A distances ranging from 2.679(1) to 3.289(2)Å. These interactions connect the various fragments into a supramolecular structure.

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The title compound, 1-(4-benzylpiperazino)methyl-3-phenyl-1,2,4-triazole-5-thione, C₂₀H₂₃N₅S, crystallizes in the monoclinic space group P2/c with the following unit cell parameters: a = 18.6157(9)Å, b = 11.0013(5)Å, c = 21.6202(14)Å, β = 120.561(4)° and V = 3812.7(4)ų. The crystal structure was solved with a final R = 0.1045 using 4996 independent reflections and contains two independent molecules in the asymmetric unit. Each independent molecule exists as part of an N-H…N hydrogen-bonded centrosymmetric R₂²(18) dimer. An extensive three-dimensional network of N-H…N, C-H…N and C-H…S hydrogen bonds, with π-π and π-ring interactions are responsible for crystal stabilization. Intermolecular hydrogen bonds and C-H…π interactions produce R₂²(10), R₃³(19), R₄⁴(26), R₆⁶(37) and R₈⁸(54) rings.

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The crystal structures of [X_nE]⁺[(η⁷-C₇H₇)Mo(CO)₂GaI₃]^- [X_nE = (C₄H₈O)₄Li (1), (C₆H₁₁)₃PH (2)] are reported, revealing: (1) monoclinic, P2₁/c, a = 11.2388(1), b = 17.3201(3), c = 17.5473(2)Å, β = 101.623(1)°, Z = 4, R = 0.038 and wR2 = 0.090 for 7614 observed reflections [I > 2σ(I)]; (2) monoclinic, P2₁/n, a = 9.2979(5), b = 18.4632(8), c = 19.9789(9)Å, σ = 99.325(3)°, Z = 4, R = 0.073 and wR2 = 0.184 for 5554 observed reflections [I > 2σ(I)].

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In the title compound, C₂₃H₂₈O₈, the molecule has an extended conformation with both of the benzene rings being in an equatorial position with respect to the furanose ring. The furanose ring adopts an envelope conformation. In the crystal lattice, the molecules are edge fused via O-H…O and C-H…O intermolecular interactions, forming continuous chains of R³₃(27) and R³₃(33)-type rings. In addition, the structure is further stabilized by C-H…π interactions.

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The title compound crystallizes in the monoclinic space group P2₁/n with a = 12.3727(4), b = 20.0249(5), c = 17.9607(6)Å, β = 97.002(1)°, V = 4416.8(2)ų, and Z = 4. The crystal structure consists of a discrete [{[Ti](μ-σ,π-C≡CSiMe₃)₂}Cu(phen)]⁺ cation (phen=1,10-phenanthroline) and a non-coordinated BF₄^- counter-ion, whereby the copper(I) ion is four-coordinated by the two alkynyl ligands of the Ti(C≡CSiMe₃)₂ unit and the bidentate phen building block, and hence a 18-valence electron count is fullfilled. The Ti(C≡CSi)₂ plane is oriented perpendicular to the planar [Cu(phen)]⁺ arrangement.

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The compound tetrakis(N-methylthiourea)copper(I) chloride, [Cu(Metu)₄]Cl (1), was prepared by the reaction of CuCl with N-methylthiourea in a ratio of 1:1 or 1:2. Compound 1 crystallizes in the tetragonal space group I4₁/a. The solid-state structure is composed of tetrahedral [Cu(Metu)₄]⁺ units possessing D₄ symmetry and chloride counter ions, whereby the metal-organic building blocks are joined via N(H)…S hydrogen bridges, leading to a supramolecular 3D-network. Non-coordinated chloride ions also participate in hydrogen bonding.

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This compound with molecular formula C₈H₁₀O₂S₂ crystallized in the orthorhombic space group Pca2₁ (Z = 4) with unit-cell parameters a = 7.3576(9)Å, b = 14.2238(11)Å, c = 8.714(2)Å. The structure was solved by direct methods and refined to R = 0.0309. This compound approximates the rare ZZ conformation in which both the ketenedithioacetal group and the oxygen atoms are on the same plane with the sulfur atoms close to the respective oxygen atoms.

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Crystals of 1-isopropyl-3-methylimidazolium iodide and 2,3-dimethyl-1-isopropylimidazolium iodide were prepared and their crystal structures were determined at orthorhombic space groups Pbca and Pnma, respectively. The cell parameters were a = 10.011(4), b = 13.081(4), c = 14.811(4)Å, Z = 8 and a = 11.802(4), b = 7.437(2), c = 12.010(4)Å, Z = 4 in the aforesaid order. The substitution of a methyl group for a proton of the imidazole ring differentiated the crystal packing of the title compounds as well as van der Waals interactions.

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The title compound, 2-(2-cyano-2-ethoxycarbonylethyl)-8-quinolinol (I), C₁₅H₁₄N₂O₃, crystallizes in the triclinic system, space group P1 with cell constants: a = 5.9476(5), b = 9.9004(5), c = 12.3459(4)Å, α = 68.468(9), β = 82.168(14), γ = 89.144(15)°, V = 669.44(7)ų, Z = 2. 2-(2,2-Dicyanovinyl)-8-quinolinol (II), C₁₃H₇N₃O, crystallizes in the triclinic system, space group P1 with a = 7.040(4), b = 8.131(5), c = 10.198(5)Å, α = 97.01(2), β = 108.93(3), γ = 102.45(2)°, V = 527.4(5)ų, Z = 2. The structure of II adopts a planar conformation.

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The title compound, 2,2-bis(6-hydroxy-biphenyl-3-yl)-1H-indene-1,3(2H)-dione (1), crystallizes in the monoclinic space group P2₁ with cell parameters a = 9.3606(7), b = 26.403(2), c = 11.0719(7), β = 97.757(4)°, V = 2711.4(3)ų and Z = 4. The asymmetric unit comprises two of crytallographically independent molecules of (1) and one molecule of dichloromethane, as packing solvent without any formation of intermolecular hydrogen bonds.

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The title compound, C₁₃H₉Br₃, crsytalizes in the triclinic P1 space group. The unit-cell parameters at room temperature are a = 6.371(3), b = 9.145(3), c = 10.731(10)Å, α = 91.27(5), β = 99.83(6), γ = 97.49(3)°, V = 610.2(7)ų, D_x = 1.314 g/cm³, Z = 2. The crystal structure has non-classical hydrogen bonding interactions.

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The title compound, (C₂₆H₂₃N)₃·CHCl₃, was synthesized by the reaction of trityl bromide with m-toluidine in chloroform and crystalized in the trigonal R3 space group (Z = 6) with the one molecule of chloroform, and with a = 20.765(5), b = 20.765(5), c = 24.924(5)Å, α = β = 90°, γ = 120°, V = 9307(4)ų, Z = 6 and D_x = 1.250 Mg m^-3. A least-squares refinement gave a residual index of R = 0.065 for 3540 observed reflections. Three phenyl rings of the title compound are at angles of 60.39(13), 74.10(14) and 70.17(13)° to the six-membered ring of the planar aminophenol group. The dihedral angles between three phenyl rings are 73.60(16), 87.80(15) and 56.52(15)°.

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The title compound, (2E)-3-(2-thienyl)acrylic acid-benzene-1,2-diamine, was synthesized by the reaction of 1,2-diaminobenzen and 3-(2-tienyl)acrylic acide in a dioxane solution. The compound crystallizes in the orthorhombic space group Pbcn; a = 24.610(5)Å, b = 7.588(5)Å, c = 11.289(5)Å, V = 2108.1(17)ų and Z = 8. The final R value is 0.047. The thiophene and benzene ring are each essentially planar. The benzene-1,2-diamine moity in the title compound has a rotation axis that passes through the mid point of the bonds C8-C8a and C10-C10a. The crystal packing is stabilized by intermolecular N-H…and O-H…N hydrogen-bonding interactions.

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The title POM-based organic-inorganic hybrid compound consists of one Anderson-type polyoxoanion, two [Cu(2,2′-bipy)Cl]⁺ cations, five Na⁺ cations and fourteen coordination H₂O molecules and two solvent H₂O molecules; the polyoxoanion was linked by Na⁺ to form a 2D layer. A 2D organic layer is also formed through a π-π stacking interaction. Through weak interactions between the adjacent layers, a 3D supramolecular compound is formed.

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The title compound, 2-phenylpyrazolo[4,3-c]coumarin, C₁₆H₁₀N₂O₂, crystallizes in the monoclinic space group P2₁/n with unit-cell parameters: a = 4.8289(1), b = 22.9614(5), c = 11.2023(3)Å, β = 92.893(1)°, Z = 4. 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 0.0476 for 2974 observed reflections. The dihedral angle between the phenyl ring D and pyrazolo coumarin moiety is 21.8(1)°. The crystal packing is influenced by weak C-H…O and C-H…π hydrogen bonds, and π-π interactions.

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The title compound, 3β-hydroxy-17-oximinoandrost-5-ene monohydrate, C₁₉H₂₉NO₂·H₂O, crystallizes in the monoclinic space group P2₁ with unit-cell parameters: a = 11.632(3)Å, b = 6.255(2)Å, c = 12.155(3)Å, β = 100.488(4)°, Z = 2. The structure was refined to a final R-value of 0.0549 for 3421 observed reflections. Rings A and C of the compound are in a chair conformation whereas ring B is in a half-chair conformation. Ring D is intermediate between a half chair and an envelope conformation. The A/B ring junction is quasi-trans, while ring junctions B/C and C/D are trans fused about the C8-C9 and C13-C14 bonds, respectively. The twist along the length of the steroid nucleus is -12.5°. O-H…O hydrogen bonds connect the steroid molecules via water solvent, forming dimers. Further, O-H…O intermolecular hydrogen bonds link the dimers to form dimer chains. The dimer chains are packed together to form layers.

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The coordination polymer Zn(phth)₂(H₂O)₂ (phth = phthalate) (1), with the formula C₁₆H₁₄ZnO₁₀ was synthesized and the crystal structure was determined by single-crystal X-ray diffraction. The complex belongs to a monoclinic system, space group P2₁/c with a = 8.2995(17)Å, b = 14.341(3)Å, c = 7.1992(14)Å, β = 102.14(3)°. The Zn complex forms one-dimensional zigzag chains via a π-π stacking interaction of phthalate. The adjacent zigzag chains may also be paired under the direction of supramolecular recognition and attraction through both π-π stacking and hydrogen-bonding interactions into molecular zippers, which are further interlinked into a three-dimensional supramolecular network by these non-covalent interactions.

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A new salt with an inorganic anion and an organic cation, [1-(2,3-(CH₃)₂C₆H₃)C₄H₁₁N₂]ZnCl₄·H₂O, has been prepared and characterized by X-ray crystallography. The complex crystallizes in the monoclinic space group P2₁/c with the following cell parameters: a = 7.124(1), b = 8.086(9), c = 30.393(11)Å, β = 93.99(2)°, V = 1746.8(3)ų, Z = 4. The crystal structure was solved and refined to R = 0.028 with 2672 independent reflections. The atomic arrangement can be described as being built up by zig-zag chains of (ZnCl₄·H₂O)_n^2-. The N-H…O and N-H…Cl hydrogen bonding as well as the π-π stacking interactions between the phenyl rings play crucial roles in forming interesting structural patterns.

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The crystal structure of the title complex, [Cu(4,4′-bipyridine)(H₂O)₃(SO₄)]·2H₂O, was determined by X-ray diffraction. This compound was crystallized in the monoclinic system, space group Cc, with a = 10.244(1)Å, b = 19.886(3)Å, c = 7.505(1)Å, β = 100.390(9)°, Z = 2, V = 1503.81(33)ų. The structure consists of linear cationic chains of [Cu(4,4′-bipyridine)(H₂O)₃]²⁺ with SO₄^2- anions as spacers between the chains. A 3D supramolecular network was formed by hydrogen-bond interactions.

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The crystal structure of the title compound, C₁₂H₉BrN₄O₂, shows that the stereochemistry about the N=N double bond in the diazoamine moiety is trans. The dihedral angle [6.7(6)°] between the terminal phenyl rings indicates that the whole molecule is almost planar (r.m.s. deviation = 0.0945 Å). Intermolecular N-H…O and C-H…O hydrogen bonds generate infinite one-dimensional linear chains along the [0 0 1] direction. The unequal distribution of the double-bond character among the N atoms of the diazoamine moiety indicates a delocalization of the π electrons over the N=N-N(H) moiety towards the terminal aryl substituents.

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A solid complex of erbium nitrate with a β-diketonate-type ligand, N-(2-pyridinyl)ketoacetamide, was synthesized. The title complex was crystallized in the triclinic system, space group P1 with a = 7.4201(3)Å, b = 10.5950(5)Å, c = 11.6490(5)Å, α = 68.615(2)° β = 87.557(2)°, γ = 86.607(2)°, V = 851.03(6)ų, Z = 2. The geometry of Er(III) is a distorted tricapped trigonal prism. In the structure of the title complex, a 3D supramolecular network is formed by interactions of the hydrogen bonds.

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The crystal structure of the title compound, C₇H₉N₃O, shows the expected trans stereochemistry about the N=N double bond in the (H)N-N=N(→O) diazoamine N-oxide moiety. The interplanar angle [7.1(3)°] between the terminal phenyl ring and the triazene N-oxide fragment indicate that the whole molecule deviates slightly from the planarity (r.m.s. deviation = 0.0505 Å). Molecules are joined to discrete centrosymmetric dimmers, via N-H…(O, O′) bifurcated, and non-classical C-H…O hydrogen bonds. The unequal distribution of the double-bond character among the N atoms of the diazoamine N-oxide moiety indicates a delocalization of the π electrons over the N=N-N(H) group towards the terminal phenyl substituent.

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A novel copper(II) thiocyanate complex with 4-(dimethylamino)pyridine (DMAP) and N,N-dimethylformamide (DMF), [Cu(DMAP)₂(SCN)₂(DMF)₂], was synthesized. The title complex was crystallized in the triclinic system, space group P1 with a = 8.476(1)Å, b = 9.404(1)Å, c = 9.924(1)Å, α = 91.186(2)°, β = 113.989(3)°, γ = 103.543(2)°, V = 696.6(2)ų and Z = 1. In the title complex, the Cu(II) atom is placed in a centrosymmetric octahedral environment. The molecules are linked by two kinds of weak hydrogen-bonds, C-H…O and C-H…S, generating an extended two-dimensional supramolecular network structure in the ab plane.

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