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N-(4-Bromo-butano-yl)-N'-phen-ylthio-urea.

ABSTRACT: The asymmetric unit of the title compound, C(11)H(13)Br(1)N(2)O(1)S(1), consists of two independent mol-ecules, which are linked by N-H?O hydrogen bonds, forming a dimer. Both mol-ecules maintain the trans--cis configuration with respect to the position of the butanoyl groups and benzene rings against the thiono group across the C-N bonds. The mol-ecule is stabilized by intra-molecular N-H?O hydrogen bonds. Inter-molecular N-H?S, C-H?S and C-H?? inter-actions also occur.

SUBMITTER: Yamin BM

PROVIDER: S-EPMC3152046 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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N-(4-Bromo-butano-yl)-N'-phen-ylthio-urea.

Yamin Bohari M BM Othman Nur Eliyanti Ali NE

Acta crystallographica. Section E, Structure reports online 20110611 Pt 7

The asymmetric unit of the title compound, C(11)H(13)Br(1)N(2)O(1)S(1), consists of two independent mol-ecules, which are linked by N-H⋯O hydrogen bonds, forming a dimer. Both mol-ecules maintain the trans--cis configuration with respect to the position of the butanoyl groups and benzene rings against the thiono group across the C-N bonds. The mol-ecule is stabilized by intra-molecular N-H⋯O hydrogen bonds. Inter-molecular N-H⋯S, C-H⋯S and C-H⋯π inter-actions also occur. ...[more]

PMID: 21837035

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Project description:In the title compound, C(7)H(7)BrN(2)S, the thio-urea unit is almost perpendicular to the bromo-benzene fragment, making a dihedral angle of 80.82?(16)°. The crystal structure is stabilized by N-H?S inter-molecular hydrogen bonds, which form linear chains along the ab diagonal.

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