metal-organic compounds
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The structure of the title compound, [Ni(C15H14N3S2)2]·H2O, has one molecule in the asymmetric unit, along with a solvent water molecule. The two different Schiff base moieties coordinate to the central NiII ion as tridentate N,N′,S-chelating ligands, creating a six-coordinate distorted octahedral environment [the smallest angle being 77.43 (7)° and the widest angle being 169.99 (7)°]. The mean planes of the two ligands are nearly orthogonal to each other with an angle of 89.53 (6)°. The packing of the complex is supported by O—HN and O—HS hydrogen bonding between the solvent water molecule and the uncoordinated N and S atoms of neighbouring ligands.
metal-organic compounds
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In the title compound, [Zn(C20H16N3S2)2]·CH3CN, two different Schiff base moieties coordinate to the central ZnII ion as tridentate N,N′,S-chelating ligands, creating a distorted octahedral environment [the smallest angle being 73.24 (6)° and the widest angle being 155.73 (7)°], with the two S atoms in cis positions. The dihedral angle between the mean planes of the two coordinating ligands is 83.65 (5)°. The crystal packing is consolidated by weak C—HN hydrogen-bonding interactions.
metal-organic compounds
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The title compound, [Zn(C15H14N3S2)2], contains two chemically equivalent Schiff base anions that are coordinated to the ZnII ion as tridentate N,N′,S-chelating ligands, creating a distorted octahedral environment [the smallest angle being 75.40 (6)° and the widest angle being 162.87 (6)°], with the two S atoms in cis positions. The dihedral angle between the mean planes of the two coordinating ligands is 85.65 (5)°. Weak C—HS hydrogen bonds are also observed.
metal-organic compounds
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The asymmetric unit of the title compound, [Ni(C15H14N3S2)2], consists of two independent molecules with similar configurations. Each Ni2+ cation is coordinated in a cis-mode by two tridentate N,N′,S-chelating Schiff base ligands, creating a distorted octahedron [the smallest angle being 77.57 (7)° and the widest being 168.97 (7)° for one molecule, and 78.04 (7) and 167.55 (7)° for the second molecule]. The dihedral angle between the mean coordination planes of the two ligands is 86.76 (7)° for one and 89.99 (7)° for the second molecule. π–π interactions between neighbouring pyridine rings with plane-to-plane distances of 3.540 (1) and 3.704 (1) Å are observed.
metal-organic compounds
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The complete molecule of the title complex, [Ni(C19H21N2OS2)2], is generated by the application of twofold symmetry. The NiII atom is N,S-chelated by two hydrazinecarbodithioate ligands, which provide an N2S2 donor set that defines a distorted square-planar geometry, the S atoms being approximately cis. The conformation of the chelate ring is an envelope with the NiII atom being the flap atom. The dihedral angle between the least-squares planes through the chelate rings = 30.10 (6)°. Supramolecular chains propagated by glide symmetry along the c axis and mediated by C—HN contacts feature in the crystal packing.
organic compounds
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In the title compound, C15H16N2S2, the central C2N2S2 unit is essentially planar (r.m.s. deviation = 0.047 Å) and forms dihedral angles of 68.26 (4) and 65.99 (4)° with the phenyl and benzene rings, respectively, indicating a twisted molecule. Supramolecular chains with a step topology and propagating along [100] feature in the crystal packing, mediated through N—HS hydrogen bonds. The chains are consolidated into a three-dimensional architecture by C—Hπ interactions.
organic compounds
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Two independent molecules comprise the asymmetric unit of the title compound, C13H19N3OS, which differ in the conformations of the residues linking the thiourea and the terminal benzene ring, as manifested in the Cm—Cm—Ca—Ca torsion angles [78.03 (16) and −93.64 (16)°, respectively; m = methylene and a = aromatic]. The dihedral angles [84.40 (4) and 88.28 (5)°] formed between the thiourea residue and the benzene ring indicate an almost orthogonal relationship. In each thiourea residue, the N—H hydrogen atoms are anti, and the terminal N—H hydrogen atom forms an intramolecular N—HN hydrogen bond with the imine-N atom. In each case, the conformation about the imine C=N double bond [1.2812 (17) and 1.2801 (17) Å] is E. In the crystal, the molecules are connected by N—HS hydrogen bonds and these are connected into four molecule aggregates via N—HO hydrogen bonds, which are assembled into a two-dimensional array parallel to (011) via C—Hπ and π–π interactions [ring centroid–centroid distance = 3.8344 (9) Å].
organic compounds
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In the title hydrazonodithioate, C21H19N3OS2, the amide group is twisted out of the plane through the S2C=N atoms: the C—N—N—C torsion angle is 139.71 (13)°. The pyridine ring forms dihedral angles of 52.96 (8) and 86.46 (8)° with the phenyl rings, and the latter are approximately orthogonal [dihedral angle = 76.42 (9)°]. Supramolecular chains sustained by N—HO hydrogen bonds and propagated by glide symmetry along the c axis are found in the crystal structure. The chains are consolidated into a three-dimensional architecture by C—HO and C—HN interactions.
organic compounds
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In the title disulfide, C16H18S2, the molecule is twisted about the central S—S bond [the C—S—S—C torsion angle = 93.24 (7)°] and the dihedral angle between the benzene rings is 72.84 (7)°, indicating an almost orthogonal relationship; the methyl groups are orientated to the same side of the molecule. The crystal packing features C—H.π interactions which consolidate a three-dimensional architecture.
organic compounds
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The title compound C8H15N3S has two molecules in the asymmetric unit in which cis–trans isomerism is exhibited around the N(NH)C=S bonds. The cyclohexyl rings in both molecules adopt a chair conformation. In the crystal, N—HS hydrogen bonding produces dimers, which are interconnected through further N—HS hydrogen bonds, forming chains along the b-axis direction.