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Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate.

ABSTRACT: In the title di-thio-carbazate compound, C17H19N3S2, the central CN2S2 residue is essentially planar (r.m.s. deviation = 0.0288?Å) and forms dihedral angles of 9.77?(8) and 77.47?(7)° with the substituted-pyridyl and p-tolyl rings, respectively, indicating a highly twisted mol-ecule; the dihedral angle between the rings is 85.56?(8)°. The configuration about the C=N bond is Z, which allows for the formation of an intra-molecular N-H?N(pyrid-yl) hydrogen bond. The packing features tolyl-methyl-C-H?N(imine), pyridyl-C-H??(tol-yl) and ?-? inter-actions [between pyridyl rings with a distance = 3.7946?(13)?Å], which generates jagged supra-molecular layers that stack along the b axis with no directional inter-actions between them.

SUBMITTER: Ravoof TB

PROVIDER: S-EPMC4719984 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate.

Ravoof Thahira Begum S A TB Tiekink Edward R T ER Omar Siti Aminah SA Begum Sharifa Zaithun SZ Tahir Mohamed I M MI

Acta crystallographica. Section E, Crystallographic communications 20151219 Pt 12

In the title di-thio-carbazate compound, C17H19N3S2, the central CN2S2 residue is essentially planar (r.m.s. deviation = 0.0288 Å) and forms dihedral angles of 9.77 (8) and 77.47 (7)° with the substituted-pyridyl and p-tolyl rings, respectively, indicating a highly twisted mol-ecule; the dihedral angle between the rings is 85.56 (8)°. The configuration about the C=N bond is Z, which allows for the formation of an intra-molecular N-H⋯N(pyrid-yl) hydrogen bond. The packing features tolyl-methyl-C- ...[more]

PMID: 26870503

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