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1-Benzoyl-3,3-dibutyl-thio-urea.

ABSTRACT: The title mol-ecule, C(16)H(24)N(2)OS, is twisted about the central N(H)-C bond with a C-N(H)-C-N torsion angle of -62.67?(15)°. The carbonyl group is twisted out of the plane of the benzene ring, forming a C-C-C=O torsion angle of -25.06?(17)°. In the crystal, mol-ecules related by centres of symmetry are linked by pairs of inter-molecular N-H?S hydrogen bonds, forming eight-membered {?HNCS}(2) synthons. These are further connected by weak via C-H?O contacts, forming a two-dimensional array in the bc plane.

SUBMITTER: Gunasekaran N

PROVIDER: S-EPMC2983357 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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1-Benzoyl-3,3-dibutyl-thio-urea.

Gunasekaran N N Karvembu R R Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100925 Pt 10

The title mol-ecule, C(16)H(24)N(2)OS, is twisted about the central N(H)-C bond with a C-N(H)-C-N torsion angle of -62.67 (15)°. The carbonyl group is twisted out of the plane of the benzene ring, forming a C-C-C=O torsion angle of -25.06 (17)°. In the crystal, mol-ecules related by centres of symmetry are linked by pairs of inter-molecular N-H⋯S hydrogen bonds, forming eight-membered {⋯HNCS}(2) synthons. These are further connected by weak via C-H⋯O contacts, forming a two-dimensional array in ...[more]

PMID: 21587578

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