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1-(2-Chloro-benzo-yl)-3-(pyrimidin-2-yl)thio-urea.

ABSTRACT: In the title compound, C12H9ClN4OS, the carbonyl group is at a cis position with respect to the thio-urea unit. The dihedral angle between the phenyl and pyrimidine ring is 16.49?(6)°. An intra-molecular N-H?N hydrogen bond stabilizes the mol-ec-ular conformation. In the crystal, N-H?N, C-H?O and C-H?S hydrogen bonds generate chains along the bc axis.

SUBMITTER: Rauf MK

PROVIDER: S-EPMC3588338 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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1-(2-Chloro-benzo-yl)-3-(pyrimidin-2-yl)thio-urea.

Rauf M Khawar MK Yaseen Samad S Ebihara Masahiro M Badshah Amin A

Acta crystallographica. Section E, Structure reports online 20121215 Pt 1

In the title compound, C12H9ClN4OS, the carbonyl group is at a cis position with respect to the thio-urea unit. The dihedral angle between the phenyl and pyrimidine ring is 16.49 (6)°. An intra-molecular N-H⋯N hydrogen bond stabilizes the mol-ec-ular conformation. In the crystal, N-H⋯N, C-H⋯O and C-H⋯S hydrogen bonds generate chains along the bc axis. ...[more]

PMID: 23476466

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