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3-Acetyl-1-(2,6-dichloro-phen-yl)thio-urea.

ABSTRACT: In the title compound, C(9)H(8)Cl(2)N(2)OS, the conformation of one of the N-H bonds is anti to the C=S group and the other is anti to the C=O group. Further, the conformations of the amide C=S and the C=O group are anti to each other. The 2,6-dichloro-phenyl ring and the 3-acetyl-thio-urea side chain are inclined to one another at a dihedral angle of 83.44?(5)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, mol-ecules form inversion dimers through pairs of N-H?S hydrogen bonds.

SUBMITTER: Kumar S

PROVIDER: S-EPMC3414177 | biostudies-other | 2012 Aug

REPOSITORIES: biostudies-other

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3-Acetyl-1-(2,6-dichloro-phen-yl)thio-urea.

Kumar Sharatha S Foro Sabine S Gowda B Thimme BT

Acta crystallographica. Section E, Structure reports online 20120704 Pt 8

In the title compound, C(9)H(8)Cl(2)N(2)OS, the conformation of one of the N-H bonds is anti to the C=S group and the other is anti to the C=O group. Further, the conformations of the amide C=S and the C=O group are anti to each other. The 2,6-dichloro-phenyl ring and the 3-acetyl-thio-urea side chain are inclined to one another at a dihedral angle of 83.44 (5)°. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, mol-ecules form inversion dimers through pairs of N-H⋯S hydrogen bonds. ...[more]

PMID: 22904784

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