The synthesis and crystal structure of a new bis[3-(ammoniomethyl)pyridinium]hexachloridocadmate dihydrate are discussed based on X-ray crystallographic structure analysis. This compound crystallizes in the triclinic system, with the space group P1 and the following parameters: a = 7.7067(12), b = 7.7840(11), c = 9.6014(16)Å, α = 81.517(5), β = 82.723(5), γ = 66.728(6)°, Z = 1 and V = 521.84(14)ų. The crystal structure was determined and refined to R = 0.017 using 3243 independent reflections. The assymmetric part of the unit cell contains a [3-(ammoniomethyl)pyridinium] dication, one half of a hexachloridocadmate anion and a water molecule. The compound is built up from inorganic layers formed by CdCl₆^4- anions and ammonium groups. The organic entities and the water molecules are located between these layers, and are connected to them via C-H…Cl, N-H…O and O-H…Cl hydrogen bonds.

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The crystal structure of 1,3,4,5-tetra-O-acetlyl-α-D-tagatopyranose was determined at the space group P2₁2₁2₁ with cell parameters a = 7.939(12), b = 13.469(3), and c = 15.825(3)Å. The compound crystalizes in an orthorhombic system with V = 1692.2(5)ų and Z = 4.

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The title compound, 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, C₉H₁₀N₂S, crystallizes in the monoclinic space group P2₁/c with unit-cell parameters: a = 13.3994(11), b = 17.0170(16), c = 7.9319(8)Å, β = 90.051(9)°, Z = 8. The asymmetric unit of the title compound, C₉H₁₀N₂S, contains two crystalographiclly independent molecules, A and B; the cyclohexene rings in both molecules exhibits the half-chair conformation. The packing of the molecules is stabilized by a few N-H…N interactions, which are arranged in such a manner as to form chains.

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The title compound, N-salicylidene-2-hydroxy-5-bromobenzylamine, 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 = 11.3923(17)Å, b = 12.7998(19)Å, c = 8.6342(13)Å, β = 97.097(3)°, V = 1249.4(3)ų, D_x = 1.628 g/cm³, and Z = 4. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0284 and 0.0693, respectively, for all 2852 independent reflections. The molecule is bent with a dihedral angle between the two aromatic rings of 66.05(6)°.

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The deuterated title compound, aqua adduct of ruthenium 3,4,5-tri(ethoxy-d₅)benzoate, diaquatetrakis(μ-3,4,5-tri(ethoxy-d₅)benzoato-O,O′)diruthenium(1+) tetrafluoroborate-tetrahydrofuran (1/1), [Ru₂{3,4,5-(C₂D₅O)₃CH₂CO₂}₄(H₂O)₂]BF₄·C₄H₈O, was synthesized. The crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the monoclinic space group C2/c with a = 27.243(4)Å, b = 10.4850(15)Å, c = 23.115(3)Å, β = 100.789(3)°, V = 6486.1(16)ų, D_x = 1.506 g/cm³, and Z = 4. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0460 and 0.1037, respectively, for all 6597 independent reflections. The complex cation has a lantern-like dinuclear ruthenium core with axial water molecules [Ru-Ru 2.2629(8)Å].

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The title compound, [{Mo₃S₄(Tpms)₂}₂(μ-O)(μ-Cl)₂]·5CH₂Cl₂ (Tpms = tris(pyrazolyl)methanesulfonate), crystallized in the monoclinic space group C2/c with the following unit-cell parameters: a = 24.509(7)Å, b = 29.273(6)Å, c = 16.490(5)Å, β = 132.942(3)°, V = 8661(4)ų and Z = 4. The crystal structure was solved by direct methods, and refined by full-matrix least-squares procedures to a final R-value of 0.0798 for 7989 observed reflections. A Tpms ligand coordinated to the molybdenum atom through the two nitrogen atoms in two pyrazole rings and one oxygen atom in a sulfonato group. Another Tpms ligand coordinated to the molybdenum atom through three nitrogen atoms in three pyrazolyl rings. The remaining molybdenum atom was bridged to an adjacent molybdenum atom in another Mo₃S₄ core by two chloride anions and one oxygen atom.

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A copper(II) complex with bis(4-(pyridine-2-yl)pyrimidin-2-yl)disulfane (ppds), bis{[bis(4-(pyridine-2-yl)pyrimidin-2-yl)-disulfane]chloridocopper(II)} tetrachloridocuprate(II), [Cu(ppds)Cl]₂[CuCl₄], was isolated. The crystal structure was determined by the single-crystal X-ray diffraction method at 293 K. It crystallizes in the monoclinic space group C2/c with a = 28.985(5)Å, b = 8.7403(14)Å, c = 17.380(3)Å, β = 103.642(3)°, V = 4278.7(12)ų, D_x = 1.795 g/cm³, and Z = 4. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0499 and 0.1115, respectively, for all 4959 independent reflections. The compound consists of two trigonal-bipyramidal copper(II) cations with a seven-membered chelate ring containing the disulfide bond of ppds and a distorted tetrahedral CuCl₄^2- anion.

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The compound crystallized in a monoclinic system, and was characterized thus: P2₁/n; a = 8.821(5)Å, b = 14.971(5)Å, c = 14.473(5)Å, β = 101.306(5)°, Z = 4, V = 1874.20(24)ų. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F² to final values of R₁ = 0.0528 and wR₂ = 0.1574. An acyl-group of the dimethylacetylene dicarboxylate ligand underwent a 1,2-acyl shift, while forming a vinylidene dianion, which newly bridged to the cis-dicyclopentadienyldiiron-group by the (μ,η¹:η¹)-bond fashion with atomic distances of Fe1-Fe2 2.5028(15)Å, C1-C2 1.342(4)Å, and Fe1-C1 1.917(3)Å, Fe2-C1 1.901(3)Å, respectively.

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The title compound, 2-cyano-N-cyclohexylacetamide, C₉H₁₄N₂O, crystallizes in the monoclinic space group P2₁/n with the following unit-cell parameters: a = 12.057(2), b = 4.7671(8), c = 16.327(4)Å, β = 96.50(2)°, Z = 4. The crystal structure was elucidated by direct methods, and refined to a final R-value of 0.0765 for 1137 observed reflections. The cyclohexane ring adopts the chair conformation. Intermolecular hydrogen bonds of the type N-H…O and C-H…N have been observed.

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The cerium(III) complex [Ce(DMSO)₈](BPh₄)₃ (DMSO = dimethylsulfoxide) was prepared, and characterized by a singlecrystal X-ray method. The compound crystallizes in the orthorhombic space group, Pca2₁ and Z = 8, with cell parameters a = 27.657(3)Å, b = 23.834(3)Å, c = 26.529(3)Å, V = 17487(3)ų. Eight DMSO molecules coordinate to a cerium(III) ion to form a [Ce(DMSO)₈]³⁺ cation. The CeO₈ unit has a square antiprismatic geometry, which can be approximated to an S₈ point group. Interestingly, the tetragonal axes of all the complex cations are along the crystallographic c axis.

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The structure of 7-(diethylamino)-3-(oxazol-5-yl)coumarin was determined by X-ray crystallography. The coumarin ring makes an angle with the oxazole ring. The N atom of the diethylamine group has a planar environment. The two ethyl groups of diethylamine are anti with respect to one another. Intermolecular C-H…O, C-H…N, and C-H-π interactions were observed in the crystal lattice.

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The structure of 7-(dimethylamino)coumarin (1) was determined by X-ray crystallography. The structure of 1 contains two crystallographically independent molecules. The two molecules are almost planar. Intermolecular C-H…O, C-H…π, and π…π interactions were observed in the crystal lattice.

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The title compound, a chain adduct of molybdenum(II) benzoate with 4,4′-bipyridyl (4,4′-bpy), catena(tetrakis(μ-benzoato-O,O′)(μ-4,4′bipyridyl-N,N′)dimolybdenum(II)-tetrahydrofuran (1/0.5)), [Mo₂(C₆H₅CO₂)₄(4,4′-bpy)]_n·0.5nTHF, was synthesized; the crystal structure was determined by the single-crystal X-ray diffraction method at 293 K. It crystallizes in the triclinic space group P1 with a = 9.9230(18)Å, b = 11.047(2)Å, c = 17.532(3)Å, α = 91.037(4)°, β = 100.373(3)°, γ = 107.515(3)°, V = 1796.7(6)ų, D_x = 1.605 g/cm³, D_m(floatation) = 1.629 g/cm³, and Z = 2. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0383 and 0.1088, respectively, for all 7875 independent reflections. The molecule has a zigzag chain structure with an alternating arrangement of Mo₂(C₆H₅CO₂)₄ and 4,4′-bpy [Mo-Mo 2.1113(6), 2.1151(6)Å, Mo-N 2.633(3), 2.647(3)Å]. The adsorption isotherm showed a limited adsorbing property with the type II in the IUPAC classification for N₂. The specific surface area, S_BET, was 2.71 m² g^-1.

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The title compound, C₁₉H₁₄N₄O, was synthesized and characterized by X-ray diffraction analysis. This compound crystallizes in the orthorhombic space group Pbcn with the following uinte-cell parameters: a = 7.9513(8)Å, b = 23.364(2)Å, c = 8.3103(8)Å and V = 1543.9(3)ų. The crystal structure was solved with a final R of 0.0439 using 1902 independent reflections; it contains half of one independent molecule in an asymmetric unit. It is worth noting that one title molecule contains four hydrogen-bond interactions.

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The [24]dithahexaphyrin(1.0.0.1.0.0) dimer (bis[24]dithahexaphyrin(1.0.0.1.0.0)), molecular formula C₁₀₀H₉₄N₈S₄, was isolated. The crystal structure of the compound was determined by single-crystal X-ray diffraction at 200(2)K, and was assigned to the monoclinic space group P2₁/c with a = 14.8374(15)Å, b = 25.661(3)Å, c = 24.038(2)Å, β = 93.736(1)°, V = 9133.1(16)ų, D_x = 1.117 g/cm³, and Z = 4. From 18,645 independent reflections, R1 [I > 2σ(I)] was determined to be 0.0734, and wR2 was found to be 0.1683. This value was calculated for all of the reflection data. The dimer contains an antiaromatic molecule.

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The title compound of a lantern-type diruthenium(II,III) complex, [Ru₂(2,6-Me₂-pf)(O₂CMe)₃Cl(THF)₂]·0.5THF·H₂O (2,6-Me₂-pf = N,N′-bis(2,6-dimethylphenyl) formamidinate ion), was isolated, and the crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the monoclinic space group C2/c with a = 26.178(5)Å, b = 13.567(3)Å, c = 18.796(4)Å, β = 108.168(4)°, V = 6343(2)ų, D_x = 1.659 g/cm³, and Z = 8. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0294 and 0.0591, respectively, for all 7283 independent reflections. The Ru-Ru distance is 2.2931(5)Å and the axial Ru-Cl and Ru-O (THF) distances are 2.4923(9) and 2.315(2)Å, respectively. The ¹H NMR spectrum was measured in CD₂Cl₂ at 298 K, and the observed signals were assigned for the 2,6-Me₂-pf^- and MeCO₂^- ligands.

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Bis[pentafluorophenyl[24]dithahexaphyrin(1.0.0.1.0.0)] 1, molecular formula C₁₀₀H₇₄F₂₀N₈S₄, was isolated in this study. The crystal structure of the title compound was determined by single-crystal X-ray diffraction at 150(2)K, and was assigned to the monoclinic space group P2₁/c with a = 17.755(4)Å, b = 21.580(4)Å, c = 25.600(5)Å, β = 102.312(3)°, V = 9583(3)ų, D_x = 1.314 g/cm³, and Z = 4. From 16887 independent reflections, R1 [I > 2σ(I)] and wR2 were determined to be 0.0716 and 01467, respectively. These values were calculated for all reflection data.

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The crystal structure of N-isopropylanthranilic acid trimer was characterized by a single-crystal X-ray diffraction method to study the conformation of oligo(o-benzamide). The compound crystallized in a triclinic space group, P1, with a = 7.720(4)Å, b = 9.006(4)Å, c = 20.131(9)Å, α = 92.459(7)°, β = 95.299(7)°, γ = 91.099(7)°, V = 1391.9(11)ų, and Z = 2. In the crystal structure, one of the amide linkages adopts a cis conformation, while the other adopts a trans conformation.

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The title compound of a (2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrinato)oxidovanadium(IV) complex, VO(TPPBr₄),·4CHCl₃, was isolated 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/m with a = 9.3075(12)Å, b = 20.839(3)Å, c = 13.7601(17)Å, β = 90.797(2)°, V = 2668.7(6)ų, D_x = 1.833 g/cm³, and Z = 2. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0475 and 0.1419, respectively, for all 6298 independent reflections. The V-N_average distance is 2.055(5)Å and the axial V=O distance is 1.604(4)Å. The porphyrin ring distorted to a saddle-shaped structure. Large red-shifts of the Soret and Q bands (observed at 462 nm and 562, 604 nm, respectively, in CH₂Cl₂) are considered to be due to distortion of the porphyrin ring.

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The title compound, a chain adduct of molybdenum(II) benzoate with 1,2-bis(4-pyridyl)ethane (bpe), catena(tetrakis(μ-benzoato-O,O′)(μ-1,2-bis(4-pyridyl)ethane-N,N′)dimolybdenum(II)), [Mo₂(C₆H₅CO₂)₄(bpe)]_n, was synthesized; the crystal structure was determined by the single-crystal X-ray diffraction method at 293 K. It crystallizes in the triclinic space group P1 with a = 8.2457(17)Å, b = 10.506(2)Å, c = 12.142(3)Å, α = 114.583(4)°, β = 90.398(4)°, γ = 108.768(4)°, V = 893.4(3)ų, D_x = 1.599 g/cm³, D_m = 1.60 g/cm³, and Z = 1. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0362 and 0.0716, respectively, for all 3971 independent reflections. The molecule has a chain structure with an alternating arrangement of Mo₂(C₆H₅CO₂)₄ and bpe [Mo-Mo 2.1095(5)Å, Mo-N 2.608(2)Å]. The N₂ adsorption isotherm was investigated and a Type II adsorption property with a S_BET value of 2.47 m² g^-1 was found.

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A chain complex of molybdenum(II) benzoate with 1,2-bis(4-pyridyl)ethylene (bpel), catena(tetrakis(μ-benzoato-O,O′) (μ-1,2-bis(4-pyridyl)ethylene-N,N′)dimolybdenum(II)), [Mo₂(C₆H₅CO₂)₄(bpel)]_n, was synthesized; the crystal structure was determined by the single-crystal X-ray diffraction method at 293 K. It crystallizes in the triclinic space group P1 with a = 8.2328(10)Å, b = 10.5428(13)Å, c = 12.0915(6), α = 114.438(2)°, β = 90.934(2)°, γ = 108.726(2)°, V = 891.26(19)ų, D_x = 1.600 g/cm³, and Z = 1. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0415 and 0.0864, respectively, for all 3904 independent reflections. The molecule has a chain structure with an alternating arrangement of Mo₂(C₆H₅CO₂)₄ and bpel [Mo-Mo 2.1098(5)Å, Mo-N 2.610(3)Å]. The N₂ adsorption isotherm was investigated, and a Type II adsorption property with a S_BET value of 2.1 m² g^-1 was found.

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