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1-(2-Bromo-phen-yl)-3-(4-chloro-butano-yl)thio-urea.

ABSTRACT: The asymmetric unit of the title compound, C(11)H(12)BrClN(2)OS, consists of two crystallographically independent mol-ecules. In each mol-ecule, the butano-ylthio-urea unit is nearly planar, with maximum deviations of 0.1292?(19) and 0.3352?(18)?Å from the mean plane defined by nine non-H atoms, and is twisted relative to the terminal benzene ring with dihedral angles of 69.26?(7) and 82.41?(7)°. An intra-molecular N-H?O hydrogen bond generates an S(6) ring motif in each butano-ylthio-urea unit. In the crystal, N-H?O hydrogen bonds link the two independent mol-ecules together, forming an R(2) (2)(12) ring motif. The mol-ecules are further connected into a tape along the c axis via N-H?S and C-H?S hydrogen bonds.

SUBMITTER: Yusof MS

PROVIDER: S-EPMC3344192 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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1-(2-Bromo-phen-yl)-3-(4-chloro-butano-yl)thio-urea.

Yusof Mohd Sukeri Mohd MS Embong Nur Farhana NF Arshad Suhana S Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Structure reports online 20120331 Pt 4

The asymmetric unit of the title compound, C(11)H(12)BrClN(2)OS, consists of two crystallographically independent mol-ecules. In each mol-ecule, the butano-ylthio-urea unit is nearly planar, with maximum deviations of 0.1292 (19) and 0.3352 (18) Å from the mean plane defined by nine non-H atoms, and is twisted relative to the terminal benzene ring with dihedral angles of 69.26 (7) and 82.41 (7)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif in each butano-ylthio-urea unit. ...[more]

PMID: 22606195

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