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Crystal structure of benzyl 3-(3-methylphenyl)dithiocarbazate
In the title compound, C(15)H(16)N(2)S(2), the central CN(2)S(2) residue is almost planar (r.m.s. deviation = 0.0354 Å) and forms dihedral angles of 56.02 (4) and 75.52 (4)° with the phenyl and tolyl rings, respectively; the dihedral angle between the aromatic rings is 81.72 (5)°. The conformation a...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438800/ https://www.ncbi.nlm.nih.gov/pubmed/26029430 http://dx.doi.org/10.1107/S2056989015004764 |
Sumario: | In the title compound, C(15)H(16)N(2)S(2), the central CN(2)S(2) residue is almost planar (r.m.s. deviation = 0.0354 Å) and forms dihedral angles of 56.02 (4) and 75.52 (4)° with the phenyl and tolyl rings, respectively; the dihedral angle between the aromatic rings is 81.72 (5)°. The conformation about the N—N bond is gauche [C—N—N—C = −117.48 (15)°]. Overall, the molecule has the shape of the letter L. In the crystal packing, supramolecular chains along the a axis are formed by N—H⋯S(thione) hydrogen bonds whereby the thione S atom accepts two such bonds. The hydrogen bonding leads to alternating edge-shared eight-membered {⋯HNCS}(2) and 10-membered {⋯HNNH⋯S}(2) synthons. The chains are connected into layers by phenyl–tolyl C—H⋯π interactions; the layers stack along the c axis with no specific interactions between them. |
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