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

ABSTRACT: 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.

SUBMITTER: Hazari SK

PROVIDER: S-EPMC3344150 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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

Hazari Saroj K S SK Dey B K BK Roy Tapashi G TG Ganguly B B Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120328 Pt 4

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⋯π inter-actions, involving both the five- and six-membered rings as acceptors, as well as S⋯S inter-actions [3.3406 (5 ...[more]

PMID: 22606153

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

Project description: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.

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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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