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

ABSTRACT: In the title compound, C15H16N2S2, the central CN2S2 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 mol-ecule has the shape of the letter L. In the crystal packing, supra-molecular 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 phen-yl-tolyl C-H?? inter-actions; the layers stack along the c axis with no specific inter-actions between them.

SUBMITTER: Aziz NA

PROVIDER: S-EPMC4438800 | biostudies-other | 2015 Apr

REPOSITORIES: biostudies-other

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

Aziz NurFadhilah Abdul NA Yusof Enis Nadia Md EN Ravoof Thahira Begum S A TB Tiekink Edward R T ER

Acta crystallographica. Section E, Crystallographic communications 20150314 Pt 4

In the title compound, C15H16N2S2, the central CN2S2 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 mol-ecule has the shape of the letter L. In the crystal packing, supra-molecular chains along the a axis are formed by N-H⋯S(thione) hydrogen bo ...[more]

PMID: 26029430

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