X-ray studies on [NH₃(CH₂)₅NH₃]BiBr₅ show that it crystallizes in the orthorhombic P2₁2₁2₁ space group with the following unit-cell dimensions: a = 7.9580(4)Å, b = 14.0110(16)Å, c = 14.0960(14)Å. The structure was refined to R = 0.0492. It consists of penthylenediammonium cations and one-dimensional [BiBr₅]_n^2- polyanionic zig-zag chains composed of deformed BiBr₆ octahedra connected by two cis vertices. These chains are themselves interconnected by means of the N-H…Br hydrogen bonds.

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A benzoxazole derivative, (E)-2-(6-methylbenzoxazol-2-yl)-3-phenylacrylonitrile (abbreviated MBPA), with the formula C₁₇H₁₂N₂O was obtained by the Knovenegel reaction. This compound crystallizes in the monoclinic space group P2₁/c with the following cell parameters: a = 11.0508(8)Å; b = 12.0159(10)Å; c = 10.0074(9)Å; β = 94.761(5)°; V = 1324.25(19)ų; Z = 2; R₁ = 0.052 and wR₂ = 0.142 for 2755 observed reflexions. The crystal structure of the synthesized compound was built by organic layers parallel to the [101] direction.

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Trimetazidine is an anti-ischemic agent. The structure of trimetazidine hydrochloride, C₁₄H₂₂N₂O₃·HCl, was determined by X-ray crystallography. The compound crystallizes in a monoclinic system, space group P2₁/c and cell parameters: a = 21.548(1)Å, b = 7.6273(3)Å, c = 9.5982(5)Å, β = 100.651(2)°, Z = 4, V = 1550.32(12)ų. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F² to final values of R1 = 0.055 and wR2 = 0.118.

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The structure of 3,3′-[(4-benzyloxyphenyl)methylene]bis-(4-hydroxy-2H-chromen-2-one) was determined by X-ray crystallography The compound crystallized in a monoclinic system and was characterized thus: P2₁/n, a = 12.2990(15)Å, b = 10.8108(8)Å, c = 21.277(2)Å, Z = 4, V = 2787.7(5)ų. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F² to final values of R1 = 0.0860 and R2 = 0.1436.

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The title compound, (Z)-3-(3-chlorophenyl)-2-phenyl acrylic acid (C₁₅H₁₁ClO₂), crystallizes in the monoclinic space group P2₁ with the following unit-cell parameters: a = 18.7975(12), b = 15.3248(9), c = 24.378(2)Å, β = 108.058(8)° and Z = 20. The crystal structure was solved by direct methods and refined by full-matrix least-squares procedures to a final R-value of 0.0781 for 8174 observed reflections. The molecule consists of two phenyl rings and an acrylic unit. In this structure there are ten crystallographically independent molecules in the asymmetric unit. Apparently, some minor differences in the conformations of these molecules in the asymmetric units could lead to different hydrogen-bond motifs. The crystal structure contains intermolecular O-H…O and C-H…π hydrogen bonds. The minimum π-π distance is 4.864(6)Å.

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The crystal structure of the title complex, [Cd(C₁₀H₈N₂)(NO₃)₂(H₂O)], was determined by X-ray diffraction. This compound was crystallized in a monoclinic system, space group P2₁/c, with a = 7.426(6)Å, b = 9.302(3)Å, c = 19.841(9)Å, β = 98.34(6)°, Z = 4, V = 1356(1)ų. The central Cd^II ions are eight-coordinated in a CdO₆N₂ environment, giving a distorted bicapped trigonal-antiprismatic coordination geometry. The structure of the title compound is polymeric, and consists of layers parallel to (100), interconnected by hydrogen bonding and π-π interactions, strong enough to form a three-dimensional framework that delimits b-axis tunnels.

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The title compound, 3-(β-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one trihydrate, C₂₂H₂₂O₁₂·3H₂O, is a natural β-D-glucosylflavone (1) isolated from Argemone mexicana Linn. (Papaveraceae). The compound crystallizes in the monoclinic space group C2 with unit-cell parameters: a = 24.2721(9), b = 11.6227(4), c = 9.3193(4)Å, β = 107.489(4)°, Z = 4. The crystal structure was refined to a final R-value of 0.0523 for 3733 observed reflections. The dihedral angle between the benzopyran moiety and the 4-hydroxy-3-methoxyphenyl ring is 9.95(8)°. The basal plane of the glucose moiety is nearly perpendicular to the benzopyran ring system. Molecules are held together in the crystal by O-H…O hydrogen bonds and C-H…π and π-π interactions.

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The title compound, a Pd(II)-Co(II) coordination polymer selected isonicotinic acid (H-INA), [Co(H₂O)₄{PdCl₂(INA)₂}]_n, was synthesized and characterized by single-crystal X-ray analysis. The compound was crystallized in the triclinic space group, P1 and Z = 1 with cell parameter a = 5.580(4)Å, b = 6.709(4)Å, c = 12.846(4)Å, α = 71.52(5)°, β = 79.41(7)°, γ = 83.40(8)°, V = 447.5(5)ų. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F² to final values of R1 = 0.0282 and wR2 = 0.0954 for all 1845 independent reflections.

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The structure of the title compound features both bridging and chelating dithiocarbamate ligands, so that a tetragonal pyramidal S₅ coordination geometry results. Each of the chelating ligands is bidentately coordinated to a cadmium atom, and forms a planar four-membered chelate ring [CdS₂C]; However, a pair of tridentate bridging ligands combine two neigbouring cadmium atoms, forming extended eight-membered tricyclic moieties [Cd₂S₄C₂], whose geometry can be approximated by a ‘chair’ conformation. The compound crystallizes in the triclinic space group P1 with the following unit-cell parameters: a = 8.5286(6), b = 11.4221(6), c = 11.4561(6)Å, α = 112.632(2), β = 97.216(2), γ = 106.241(2)°, Z = 1. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature, and refined by full-matrix least-squares procedures to a final R-value of 0.0297 for 5115 observed reflections. Both of the piperidine rings exhibit a chair conformation. The structure has an intermolecular hydrogen bond of the type C-H…S, which helps to stabilize the crystal structure.

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Ethyl naphtho[2,1-b]furan-2-carboxylate was synthesized and characterized by spectroscopic techniques, and the structure of the compound was confirmed by X-ray diffraction studies. The title compound crystallizes in the monoclinic crystal system and space group P2₁/c with cell parameters: a = 13.112(4)Å, b = 5.910(1)Å, c = 18.657(5)Å, β = 123.785(6)°. The furan ring is planar. The molecule is stabilized by weak interactions.

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The title compound, C₁₅H₁₇N₃O₂, was synthesized, and the structure was characterised spectroscopically by ¹H NMR and ¹³C NMR methods, and finally confirmed by an X-ray diffraction study. The compound crystallizes in the triclinic crystal class in the space group P1 with the following cell parameters: a = 7.3332(8)Å, b = 8.6358(7)Å, c = 11.7675 Å, α = 75.306(8)°, β = 73.835(9)°, γ = 89.698(8)°, Z = 2 and V = 690.63(11)ų.

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The structure of the title compound, (4-benzoyl-2-methyl-phenoxy)-acetic acid ethyl ester (C₁₈H₁₈O₄), was established by spectral analysis and X-ray diffraction studies. The compound crystallizes in the orthorhombic space group Pbca with the following unit-cell parameters: a = 36.993(2), b = 10.1567(7), c = 8.3441(6)Å, Z = 8. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected and refined by full-matrix least-squares procedures to a final R-value of 0.0690 for 2155 observed reflections. The dihedral angle between the benzoyl ring and the methyl substituted phenyl ring is 59.4(1)°. The crystal structure is stabilized by C-H…O and C-H…π hydrogen bonds that link the molecules into infinite chains.

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The salt [RuH(COD)(H₂NNH₂)₃][BPh₄] (2) (COD = cycloocta-1,5-diene and BPh₄ = tetraphenylborate) was prepared by reacting the polymeric species [{Ru(COD)Cl₂}_x] (1; x > 2) with hydrazine hydrate in refluxing ethanol. The obtained crystal was characterized by single-crystal X-ray analysis. The compound crystallizes in the monoclinic space group P2₁/n with unit-cell dimensions a = 9.7449(8)Å, b = 32.881(3)Å, c = 18.6962(16)Å, β = 99.571(10)°, V = 5907.3(9)ų and Z = 8. The ruthenium has a distorted octahedral geometry with two formula units comprising two cations and two anions in the asymmetric unit.

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The title compound, diphenylamine-picric acid (1:2) (C₁₂H₁₁N·2C₆H₃N₃O₇), crystallizes in the monoclinic space group P2₁/a with the following unit-cell parameters: a = 25.4238(14), b = 6.9922(5), c = 15.1311(8)Å, β = 92.335(5)°, Z = 4. The crystal structure was solved by direct methods, and refined by full-matrix least-squares procedures to a final R-value of 0.0770 for 2426 observed reflections. In the title molecular complex, both of the picric acid molecules are disordered, corresponding to a rotation about one H-C…C-N axis, resulting in two sites for the hydroxyl group. In the diphenylamine molecule, the two phenyl rings are rotated with respect to each other by a dihedral angle of 33.0(1)°. The crystal structure is stabilized by N-H…O and C-H…O hydrogen bonds and π-π stacking interactions.

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The title compound, [Cr^III(HL1-H)₂]NO₃·H₂O, [H₂L1-H = 2-[2-(hydroxymethylphenyl)iminomethyl)phenol], was synthesized and characterized by single-crystal X-ray analysis. The compound crystallizes in the triclinic system, space group P1 and Z = 2 with cell parameters a = 9.409(5)Å, b = 12.330(5)Å, c = 13.789(5)Å, α = 116.13(3)°, β = 96.99(4)°, γ = 104.81(4)°, V = 1337.1(11)ų. The tridentate ligands bind to the chromium atom as monoanionic chelates.

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A 2:1 5-hydroxyisophthalic acid (HIPA)-ethanol solvate, 2(C₈H₆O₅)·C₂H₆O, was crystallized in the monoclinic space group P2₁/c with a = 13.782(3)Å, b = 8.3300(16)Å, c = 15.755(3)Å, β = 97.366(7)°, V = 1793.8(6)ų, and Z = 4. X-ray crystal structure analysis (R₁ = 0.0740) revealed that the HIPA molecules formed a one-dimensional hydrogen bonded framework along the b-axis containing cavity spaces, into which ethanol molecules were embedded.

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The crystal structure of 1-p-tolyl-3-(3-(trifluoromethyl)phenyl)triaz-1-ene 1-oxide is triclinic, space group P1 with a = 6.065(2), b = 8.391(2), c = 13.529(3)Å, α = 82.047(5), β = 84.350(5), γ = 83.377(5)°, and Z = 2. The crystal structure was solved by direct methods, and refined by full-matrix least squares to final values of R1 = 0.0579 and wR2 = 0.1453 with 2000 reflections (I > 2σ(I)). There are intermolecular hydrogen bonds between the NH groups acting, as donors and O atoms as acceptors and F…F interactions.

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The crystal structure of the triethylammonium salt of 3-carboxymethyl-5-[2-(3-decyl-2-benzothiazolidene)ethylidene]-2-thioxo-4-thiazolidinone was determined by X-ray crystallography. The compound crystallized in a triclinic system, space groups P1 and Z = 2 with cell parameters a = 11.7107(13)Å, b = 15.5659(17)Å, c = 15.9742(17)Å, α = 89.029(2)°, β = 84.925(2)°, γ = 76.510(2)°, V = 2820.4(5)ų. The crystal structure was refined to final values of R1 = 0.0970 and wR2 = 0.2460. A negative charge assisted hydrogen bond (-)CAHB between the carboxyl groups was found.

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A 1:1 5-hydroxyisophthalic acid (HIPA)-acetone solvate, C₈H₆O₅·C₃H₆O, was crystallized in the triclinic space group P1 with a = 6.9655(7)Å, b = 11.2080(11)Å, c = 15.6562(16)Å, α = 83.613(3)°, β = 85.272(3)°, γ = 76.055(2)°, V = 1176.9(2)ų and Z = 4. The X-ray crystal structure analysis (R₁ = 0.0478) revealed that the HIPA molecules formed a one-dimensional hydrogen bonded chain structure via a carboxylic acid dimer motif, along the 1 0 -1 direction. In the (1 0 1) plane, cavity spaces were formed between the chains, where acetone molecules were included.

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The title complex, bis(O-propyldithiocarbonato-κ²S,S′)(2,2′-bipyridine-κ²N,N′)nickel(II) [Ni(S₂COCH₂CH₂CH₃)₂(C₁₀H₈N₂)], was synthesized by the reaction of bis(O-propyldithiocarbonato)nickel(II) with the bidentate ligand 2,2′-bipyridine in acetone. It crystallized in the tetragonal space group I42d with the following unit-cell parameters: a = 22.071(4), c = 9.189(3)Å and Z = 8. The crystal structure was solved by direct methods, and refined by full-matrix least-squares procedures to a final R-value of 0.0311 for 1779 observed reflections. The pyridine ring makes a dihedral angle of 86.21(1)° with the dithiocarbonato ring. The Ni²⁺ ion is in a strongly distorted octahedral coordination environment formed by an N₂S₄ donor set, defined by two chelating dithicarbonate anions as well as a 2,2′-bipyridine ligand with the Ni²⁺ ion located at the crystallographic two-fold axis of rotation (Wyckoff letter : d).

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The title compound, K₃Na(SO₄)₂, was isolated, and the crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the trigonal space group P3m1 with a = 5.6346(8)Å, c = 7.2543(15)Å, V = 199.46(6)ų, D_x = 2.767 g/cm³, and Z = 1. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0244 and 0.0653, respectively, for all 217 independent reflections. The crystal consists of six-coordinated sodium ions and ten-coordinated and twelve-coordinated potassium ions, which are connected by sulfate ions.

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A new complex of a catena-(μ₂-perchlorato)-N-ethyl-N,N′-bis(pyridin-2-ylmethyl)propane-1,3-diaminecopper(II) perchlorate ([Cu(ClO₄)₂(LHEt)]) was prepared. Its crystal structure was determined by single-crystal X-ray diffractometry. [Cu(ClO₄)₂(LHEt)] crystallized in the orthorhombic system, space group Pna2₁, with a = 19.959(1), b = 7.3718(3), c = 14.6432(7)Å, Z = 4, V = 2154.6(2)ų. The crystal structure was solved by direct methods and refined by full-matrix least squares on F² to final values of R1 = 0.0469. A structure such that one perchlorate ion is bridged to the two [Cu(LHEt)]²⁺ ions in the crystal was found.

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The rhodium compound, [cis-Rh(PMePh₂)₂(NCCH₃)₂][BC₂₈H₄₀O₄], was isolated and the molecular structure was determined by a single crystal X-ray diffraction study at 173 K. The compound crystallizes in a triclinic system, space group P1 and Z = 2 with cell parameters of a = 13.870(3)Å, b = 14.979(3)Å, c = 15.377(3)Å, α = 63.774(2)°, β = 81.935(2)°, γ = 78.281(2)°, V = 2801.4(9)ų. The R₁ [I > 2σ(I)] and wR₂ (all data) values are 0.0343 and 0.0904, respectively, for all 12177 independent reflections. The molecular structure analysis reveals an unusual cis-configuration of phosphine and acetonitrile ligands, where the arylspiroborate ligand is non-coordinating with respect to the rhodium atom.

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The title compound, C₂₂H₂₀N₂OS, was synthesized and the structure was investigated by X-ray crystallography and characterised by NMR and IR spectroscopy. The compound crystallizes in the orthorhombic crystal class in the space group P2₁2₁2₁ with cell parameters a = 5.4290(3)Å, b = 15.9920(19)Å, c = 21.448(2)Å and Z = 4.

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The title compound of a lantern-type rhodium(II) dimer, [Rh₂(4-Et-pf)₂(O₂CCF₃)₂(H₂O)(MeOH)] (4-Et-pf^- = N,N′-bis(4-ethylphenyl)formamidinate anion), was isolated and the crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the triclinic space group P1 with a = 10.866(2)Å, b = 13.435(3)Å, c = 14.834(4)Å, α = 85.764(3)°, β = 75.546(3)°, γ = 83.729(3)°, V = 2082.0(7)ų, D_x = 1.571 g/cm³, and Z = 2. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0449 and 0.1222, respectively, for all 12360 independent reflections. The cis-(2:2) arrangement of the 4-Et-pf and trifluoroacetato ligands within the dimer was confirmed, the methanol and water molecules coordinating to each axial site of the dimer, respectively. The Rh-Rh distance is 2.4487(7)Å and the axial Rh-O distances are 2.321(3) (for Rh-O (MeOH)) and 2.454(5)Å (for Rh-O (H₂O)), respectively.

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The X-ray crystal structure of (2'Z)-5-acetamidoindirubin, a potent synthetic inhibitor of CDKs (CDK1 and CDK5) and GSK-3, was established. It crystallizes in the orthorhombic space group Pna2₁ with cell parameters a = 20.1521(10)Å, b = 15.3072(7)Å, c = 4.6548(3)Å, V = 1435.88(13)ų and Z = 4. The crystal structure was refined to final values of R1 = 0.0573 and wR2 = 0.1376. An X-ray crystal structure analysis revealed that each molecule features intra- and intermolecular N-H…O hydrogen bonds.

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The title compound, [RuCl₃{N,N′-bis(diphenylphosphino)-2,6-diaminopyridine}]·3CH₃OH (1·3CH₃OH), was synthesized and characterized by X-ray analysis. The compound crystallizes in a monoclinic system, and was characterized thus: P2₁/n, a = 13.224(9), b = 18.427(13), c = 14.745(10)Å, β = 90.409(13)°, Z = 4, V = 3593(4)ų. The R1[I > 2σ(I)] and wR2 (all data) values are 0.0609 and 0.1626, respectively, for all 6622 independent reflections.

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The title compound, C₂₀H₁₆N₂S, was synthesized, and the structure was investigated by X-ray crystallography and characterised by NMR and IR spectroscopy. The compound crystallizes in the orthorhombic crystal class in the space group F2dd with cell parameters a = 6.1830(5)Å, b = 27.797(5)Å, c = 38.234(7) and Z = 16. Pyrazole refers both to the class of simple aromatic ring organic compounds of the heterocyclic diazole series, characterized by a 5-membered ring structure composed of three carbon atoms and two nitrogen atoms in adjacent positions, and to the unsubstituted parent compound. Being so composed and having pharmacological effects on humans, they are classified as alkaloids, although they are rare in nature. The pyrazole ring is widely found as the core structure in a large variety of compounds that possess important agrochemical and pharmaceutical activities.^1,2 Pyrazole derivatives are well known for analgesic, and antidiabetic activities.^3-5 Numerous compounds containing the pyrazole moiety exhibit a wide range of biological activities, such as anti-inflammatory,⁶ antimicrobial,⁷ and antiviral⁸ properities. In this context, and as a part of our ongoing research on pyrazoles and their crystal structures, herein we report on the synthesis and crystal structure of the title compound.

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The title compound, 1-((bis(2-hydroxyethyl)amino)methyl)-3H-benzo[f]chromen-3-one, crystallizes in triclinic systems, with space group P1. The unit-cell parameters are a = 7.5810(8), b = 10.0345(9), c = 11.1437(13)Å, α = 75.822(9), β = 72.151(10), γ = 69.247(9)°, Z = 2. The non-planar molecule is stabilized by intermolecular O-H…O C-H…O and π…π stacking interactions in the solid state.

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The structure of a methanesulfonate salt of 4-(N-methyl)pyridinium boronic acid, [4-(N-Me)PyB(OH)₂]CH₃SO₃·H₂O, was determined by X-ray crystallography, and was characterized as: P1, a = 5.6937(16), b = 7.805(2), c = 13.522(3)Å, α = 99.46(3), β = 91.45(3), γ = 108.014(17)°, Z = 2, V = 561.8(2)ų. In the crystals, the cation and the anion are linked by BOH…O(anion), BOH…O(water), and (water)OH…O(anion) hydrogen bonds to stabilize the 1:1:1-cation:anion:water salt unit.

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The cobalt(II) complex [Co(DMF)₆](BPh₄)₂ [DMF = N,N-dimethylformamide] [hexakis(N,N-dimethylformamide-κO)cobalt(II) bis(tetraphenylborate)] was prepared, and characterized by a single-crystal X-ray method. The compound crystallizes in the orthorhombic spaces group Pca2₁ and Z = 4 with cell parameters a = 30.240(4)Å, b = 9.2394(13)Å, c = 22.073(3)Å, V = 6167.1(15)ų. Six DMF molecules coordinate to a cobalt(II) center, and the complex cation can be approximately classified into an S₆ point group, and its coordination geometry is trigonally compressed.

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The asymmetric unit of the title salt contains two symmetrically independent [PW₁₂O₄₀]^3- polyoxoanions, six L-iso-leucinium (2S,3S) cations and nine solvent water molecules. The anion shows a classical α-Keggin structure, which consists of a central PO₄ tetrahedron surrounded by four vertex-sharing W₃O₁₃ trimers. The cation is mono-protonated L-iso-leucine amino acid. Most of the N-H units and all O-H units of six cations are involved in hydrogen-bonding interactions as H-donors, and some of the terminal and bridged oxygen atoms of the anions and the carbonyl oxygen atoms of three cations act as H-acceptors. The water molecules are also involved in hydrogen-bonding interactions. The extensive intermolecular N-H…O and O-H…O hydrogen bonds make a three-dimensional hydrogen-bonded network in the crystal structure.

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The crystal structure of bis(O-ethyldithiocarbonato-κ²S,S′)bis(4-ethylpyridine-κN) nickel(II) [Ni(S₂COCH₂CH₃)₂(NC₅H₄-CH₂CH₃)₂] has been elucidated by a single-crystal X-ray diffraction method. The complex crystallizes in the orthorhombic space group Pbca with unit-cell parameters a = 14.174(5), b = 17.153(5), c = 20.496(5)Å. The crystal structure was solved by direct methods and refined by full-matrix least-squares procedures to a final R-value of 0.0571 for 2621 observed reflections. The two pyridine rings are coplanar and are held almost perpendicular to the dithiocarbonato groups. The compound has a trans octahedral geometry. Packing is stabilized by C-H…S intermolecular hydrogen bonding.

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The cobalt(II) complex [Co(DMSO)₆](BPh₄)₂ (DMSO = dimethylsulfoxide) was prepared, and characterized by single-crystal X-ray method. The compound crystallizes in the triclinic space group P1 and Z = 2 with cell parameters a = 12.551(2)Å, b = 13.087(2)Å, c = 21.491(3)Å, α = 88.818(4)°, β = 74.243(3)°, γ = 64.296(3)°, V = 3041.9(9)ų. Six DMSO molecules coordinate to a cobalt(II) center to form a [Co(DMSO)₆]²⁺ cation, which can be approximated to an S₆ point group. However, the coordination geometry can be best described as a pseudo-C_2v symmetry with elongation along the O-Co-O axis.

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The title compound, N-(4-methyl-pyridin-2-yl)-3-oxo-butyramide, C₁₀H₁₂N₂O₂, has been synthesized by condensing 2-amino-4-methylpyridine with ethylacetoacetate via microwave irradiation, and is one of the intermediates for the synthesis of pyrido[1,2-a]pyrimidin-2-one. The structure of the compound was established by spectral analysis and X-ray diffraction studies. The compound crystallizes in the orthorhombic space group P2₁2₁2₁ with unit-cell parameters: a = 6.187(3), b = 9.379(4), c = 17.210(8)Å, Z = 4. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data, and refined to R = 0.0527 for 1739 observed reflections. The pyridine ring is planar with a maximum deviation of 0.002(3)Å observed for the atom C3′. The crystal packing is dominated by N-H…O, C-H…O, C-H…N hydrogen bonds and C-H-π interactions, which link the molecules into infinite chains.

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Maturin acetate is a furanoeremophilane natural product compound (C₁₈H₁₆O₅) (4-formyl-9-meth-oxy-5-methyl-naphtho[2,3-b]furan-3-yl)methyl acetate (I), was isolated from Psacalium peltatum (Kunth), named matarique. The crystal has a monoclinic system, space group P2₁/c, Z = 4; the unit cell dimensions are: a = 19.205(3)Å, b = 10.356(2)Å, c = 7.695(1)Å, β = 97.236(3)°. The structure is essentially planar; the molecules in the crystal are joined by a weak interaction C-H-O and π-π stacking.

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The single-crystal structure of N-methyl-N-phenyl-1,10-phenanthroline-2-carboxamide, MePhPTA, which is a promising ligand for the effective disposal of high-level radioactive waste, was determined by X-ray crystallography. The structure was solved by a direct method, and refined to R = 0.040. The oxygen atom of the amide group is oriented to the same side of the nitrogen atoms of the phenanthroline moiety. This conformation would be advantageous on metal coordination as a tridentate ligand with one oxygen on an amide group and two nitrogens on the phenanthroline moiety.

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The crystal structure of 3-[(2,6-dichlorophenyl)(ethoxy)methyl]-4-hydroxy-2H-chromen-2-one was determined in the space group I2/a with cell constants a = 14.287(6)Å, b = 8.335(4)Å, c = 27.542(13)Å, β = 98.99(4)°. The compound crystallizes in the monoclinic crystal system with V = 3239(2)ų and Z = 8. π-π stacking of the aromatic residues of the title compound results in the formation of linear chains in the direction of the crystallographic c-axis.

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The structure of ethyl-2-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]benzoate was determined by single-crystal X-ray crystallography. The compound crystallizes in the triclinic crystal system, space group P1 with cell constants: a = 9.4098(5)Å, b = 9.5848(5)Å, c = 12.8982(7)Å, α = 78.556(3)°, β = 86.524(3)°, γ = 72.310(3)°; V = 1086.26(10)ų, Z = 2. In the title compound, one intramolecular hydrogen bond is formed between the hydroxy group of one coumarin unit and the carbonyl group of the second one; the remaining hydroxy group as well as the carbonyl oxygen atom of the benzoate group are involved in intermolecular hydrogen bonding to the corresponding groups of a neighbouring biscoumarin molecule.

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The title compound, bis(O-n-butyldithiocarbonato-S,S')(1,10-phenanthroline) manganese(II): Mn(S₂COCH₂CH₂CH₂CH₃)₂-(1,10-phenanthroline), crystallizes in the monoclinic space group C2/c with the following unit-cell parameters: a = 6.6626(3)Å, b = 18.9127(6)Å, c = 20.5778(10)Å, β = 97.773(4)°, Z = 4. The crystal structure was solved by direct methods, and refined by full-matrix least-squares procedures to a final R-value of 0.0464 for 1892 observed reflections. In the title molecular complex, the butyl chain is disordered over two sets of sites, with occupancy ratios of 0.54(2): 0.46(2). The crystal structure is stabilized with the help of π-π interactions between neighbouring pyridine rings, with a centroid-to-centroid distance of 3.849 Å. The adduct is found to exhibit a distorted octahedral coordination geometry based on a N₂S₄ donor set with Mn²⁺ located at the centre.

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The structure of 4-hydroxy-3-[(2-oxo-2H-chromen-3-yl)-(3,4-dihydroxyphenyl)-methyl]-chromen-2-one-ethanol solvate was determined by single crystal X-ray crystallography. The compound crystallizes as colourless prisms in the monoclinic crystal system, space group P2₁/n with cell constants: a = 11.6002(11)Å, b = 10.1208(10)Å, c = 19.2221(19)Å, β = 96.659(5)°, V = 2241.5(4)ų, Z = 4. The 4-hydroxycoumarin fragments form intramolecular hydrogen bonds between hydroxy and carbonyl groups, whereas intermolecular hydrogen bonds connect two molecules via the hydroxy group of an ethanol molecule of the solvent. π-π stacking is observed between the 3,4-dihydroxyphenyl unit of a distinct molecule and two 4-hydroxycoumarin units of corresponding neighbours.

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