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3-Chloro-N-(diphenyl-carbamothio-yl)benzamide.

ABSTRACT: In the title compound, C(20)H(15)ClN(2)OS, the bond lengths and angles in the thio-urea group are typical of thio-urea derivatives. The C-N bond lengths in the center of the mol-ecule are shorter than the normal C-N single bond due to the resonance effects in this part of the mol-ecule. The conformation of the title mol-ecule with respect to the thio-carbonyl and carbonyl groups is twisted, as reflected by the C-N-C-O and C-N-C-N torsion angles of -4.4?(6) and -53.3?(5)°, respectively. Pairs of the mol-ecules are linked into centrosymmetric dimers, stacked along the c axis via inter-molecular N-H?S inter-actions. There are also weak inter-molecular C-H?O and C-H?S contacts in the structure.

SUBMITTER: Binzet G

PROVIDER: S-EPMC2968266 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

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3-Chloro-N-(diphenyl-carbamothio-yl)benzamide.

Binzet Gün G Flörke Ulrich U Külcü Nevzat N Arslan Hakan H

Acta crystallographica. Section E, Structure reports online 20090117 Pt 2

In the title compound, C(20)H(15)ClN(2)OS, the bond lengths and angles in the thio-urea group are typical of thio-urea derivatives. The C-N bond lengths in the center of the mol-ecule are shorter than the normal C-N single bond due to the resonance effects in this part of the mol-ecule. The conformation of the title mol-ecule with respect to the thio-carbonyl and carbonyl groups is twisted, as reflected by the C-N-C-O and C-N-C-N torsion angles of -4.4 (6) and -53.3 (5)°, respectively. Pairs of ...[more]

PMID: 21581951

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