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1-(4-Bromo-phen-yl)-3-butano-ylthio-urea.

ABSTRACT: In the title compound, C(11)H(13)BrN(2)OS, there are two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the carbamothioyl group is 63.66 (mol-ecule A) and 80.3?(0)° (mol-ecule B). The butanamide group in mol-ecule A is disordered [0.532?(6) and 0.468?(6) occupancy]. The carbamothioyl group is twisted by 63.6?(6) (mol-ecule A) and 80.3?(0)° (mol-ecule B) from the respective benzene ring. A strong intra-molecular N-H?O hydrogen bond occurs in each mol-ecule. The crystal packing is stabilized by weak inter-molecular N-H?O and N-H?S hydrogen-bond inter-actions, the latter forming an infinite co-operative hydrogen-bonded two-dimensional network along [110].

SUBMITTER: Saeed S 

PROVIDER: S-EPMC3050228 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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1-(4-Bromo-phen-yl)-3-butano-ylthio-urea.

Saeed Sohail S   Rashid Naghmana N   Jasinski Jerry P JP   Butcher Ray J RJ   Shoaib Muhammad M  

Acta crystallographica. Section E, Structure reports online 20101208 Pt 1

In the title compound, C(11)H(13)BrN(2)OS, there are two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the carbamothioyl group is 63.66 (mol-ecule A) and 80.3 (0)° (mol-ecule B). The butanamide group in mol-ecule A is disordered [0.532 (6) and 0.468 (6) occupancy]. The carbamothioyl group is twisted by 63.6 (6) (mol-ecule A) and 80.3 (0)° (mol-ecule B) from the respective benzene ring. A strong intra-molecular N-H⋯O hy  ...[more]

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