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N-(4-Chloro-butano-yl)-N'-phenyl-thio-urea.

ABSTRACT: The asymmetric unit of the title compound, C(11)H(13)ClN(2)OS, contains two independent mol-ecules. Both mol-ecules maintain a trans-cis configuration with respect to the position of the carbonyl group and the benzene ring against the thione group across the C-N bonds. The mol-ecules are stabilized by intra-molecular N-H?O hydrogen bonds. In the crystal, the mol-ecules are linked by inter-molecular N-H?S, N-H?O and C-H?S hydrogen bonds into chains along the c axis. C-H?? inter-actions further stabilize the crystal structure.

SUBMITTER: Yamin BM

PROVIDER: S-EPMC3051517 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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N-(4-Chloro-butano-yl)-N'-phenyl-thio-urea.

Yamin Bohari M BM Othman Nur Eliyanti Ali NE Yusof M Sukeri M MS Embong Farhana F

Acta crystallographica. Section E, Structure reports online 20110115 Pt 2

The asymmetric unit of the title compound, C(11)H(13)ClN(2)OS, contains two independent mol-ecules. Both mol-ecules maintain a trans-cis configuration with respect to the position of the carbonyl group and the benzene ring against the thione group across the C-N bonds. The mol-ecules are stabilized by intra-molecular N-H⋯O hydrogen bonds. In the crystal, the mol-ecules are linked by inter-molecular N-H⋯S, N-H⋯O and C-H⋯S hydrogen bonds into chains along the c axis. C-H⋯π inter-actions further st ...[more]

PMID: 21523089

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