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Benzyl 3-(2-methyl-phen-yl)dithio-carbazate.

ABSTRACT: In the title compound, C(15)H(16)N(2)S(2), the central C(2)N(2)S(2) 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 mol-ecule. Supra-molecular chains with a step topology and propagating along [100] feature in the crystal packing, mediated through N-H?S hydrogen bonds. The chains are consolidated into a three-dimensional architecture by C-H?? inter-actions.

SUBMITTER: Tayamon S

PROVIDER: S-EPMC3344528 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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Benzyl 3-(2-methyl-phen-yl)dithio-carbazate.

Tayamon Shahedeh S Ravoof Thahira Begum S A TB Tahir Mohamed Ibrahim Mohamed MI Crouse Karen A KA Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120418 Pt 5

In the title compound, C(15)H(16)N(2)S(2), the central C(2)N(2)S(2) 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 mol-ecule. Supra-molecular chains with a step topology and propagating along [100] feature in the crystal packing, mediated through N-H⋯S hydrogen bonds. The chains are consolidated into a three-dimensional architecture by C-H⋯π inter-actions. ...[more]

PMID: 22590290

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Benzyl 2-methyl-3-[(E)-(thio-phen-2-yl)methyl-idene]dithio-carbazate.

Project description:In the title compound, C(14)H(14)N(2)S(3), the thione S atom and methyl group are syn, as are the two thio-ether S atoms. The mol-ecule is twisted, the dihedral angles between the central (C(2)N(2)S(2)) residue and the pendent 2-thienyl and phenyl rings being 21.57?(6) and 77.54?(3)°, respectively. In the crystal, mol-ecules assemble into a three-dimensional architecture via C-H?? inter-actions, involving both the five- and six-membered rings as acceptors, as well as S?S inter-actions [3.3406?(5)?Å] between centrosymmetrically related 2-thienyl rings.

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Crystal structure of benzyl 3-(3-methyl-phen-yl)di-thio-carbazate.

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Project description:The title compound, C(16)H(16)N(2)S(2), was obtained from the condensation reaction of benzyl dithio-carbazate and 2-methyl-benzaldehyde. The asymmetric unit contains two independent mol-ecules. In both mol-ecules, the methyl-phenyl ring and the dithio-carbazate fragment are located on opposite sides of the C=N bond, showing an E conformation. In each mol-ecule, the dithio-carbazate fragment is approximately planar, the r.m.s deviations being 0.018 and 0.025?Å. The mean plane of dithio-carbazate group is oriented at dihedral angles of 7.9?(3) and 68.24?(12)°, respectively, to the methyl-phenyl and phenyl rings in one mol-ecule, while the corresponding angles in the other mol-ecule are 10.9?(3) and 69.76?(16)°. Inter-molecular N-H?S hydrogen bonding occurs in the crystal structure to generate inversion dimers for both molecules.

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Benzyl 3-[(E)-benzyl-idene]dithio-carbazate.

Project description:Crystals of the title compound, C(15)H(14)N(2)S(2), were obtained from a condensation reaction of benzyl dithio-carbazate and benzaldehyde. The mol-ecule assumes an E configuration about the N=C double bond. The phenyl ring of the thio-ester group is nearly perpendicular to the dithio-carbazate plane, with a dihedral angle of 84.60 (5)°. In the crystal structure, inter-molecular N-H⋯S hydrogen bonding links adjacent mol-ecules to form a centrosymmetric supra-molecular dimer.

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Methyl (E)-3-(2-bromo-4,5-dimeth-oxy-benzyl-idene)dithio-carbazate.

Project description:The title compound, C(11)H(13)BrN(2)O(2)S(2), was obtained from the condensation reaction of methyl dithio-carbazate and 2-bromo-4,5-dimeth-oxy-benzaldehyde. In the mol-ecule, the benzene ring and dithio-carbazate fragment are located on opposite sides of the C=N bond, showing an E conformation. The dithio-carbazate fragment is approximately planar (r.m.s deviation = 0.0281 Å) and the mean plane is oriented at a dihedral angle of 11.38 (15)° with respect to the benzene ring. In the crystal, pairs of N-H⋯S hydrogen bonds link the mol-ecules into centrosymmetric dimers.

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Benzyl 3-[(E)-2-nitro-benzyl-idene]dithio-carbazate.

Project description:The title compound, C(15)H(13)N(3)O(2)S(2), was obtained from a condensation reaction of benzyl dithio-carbazate and 2-nitro-benzaldehyde. In the mol-ecule, the nearly planar dithio-carbazate fragment [r.m.s deviation = 0.0264?Å] is oriented at dihedral angles of 7.25?(17) and 74.09?(9)°with respect to the two benzene rings. The nitro group is twisted by a dihedral angle of 22.4?(7)° to the attached benzene ring. The nitro-benzene ring and dithio-carbazate fragment are located on the opposite sides of the C=N bond, showing an E configuration. In the crystal, mol-ecules are linked via inter-molecular N-H?S hydrogen bonds, forming centrosymmetric supra-molecular dimers. Weak C-H?? inter-action is also observed in the crystal structure.

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Benzyl 3-[(E)-furfuryl-idene]dithio-carbazate.

Project description:In the title compound, C(13)H(12)N(2)OS(2), the mol-ecule assumes an E configuration, with the furan ring and dithio-carbazate units located on opposite sides of the N=C double bond. In the crystal structure, mol-ecules are linked via two inter-molecular N-H⋯S hydrogen bonds to form centrosymmetric dimers.

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