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Methyl 3-(3-benzoyl-thio-ureido)propano-ate.

ABSTRACT: In the title compound, C(12)H(14)N(2)O(3)S, the propyl acetate group and the benzoyl group adopt a cis-trans conformation, respectively, with respect to the thiono S atom across the C-N bonds. The phenyl ring is twisted relative to the the thio-urea mean plane, forming a dihedral angle of 24.16?(9)°. An intra-molecular N-H?O hydrogen bond occurs. The crystal packing is stabilized by inter-molecular N-H?O and C-H?O hydrogen bonds, forming a chain along the a axis.

SUBMITTER: Hassan IN

PROVIDER: S-EPMC3100062 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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Methyl 3-(3-benzoyl-thio-ureido)propano-ate.

Hassan Ibrahim N IN Yi Chong Yan CY Kassim Mohammad B MB

Acta crystallographica. Section E, Structure reports online 20110305 Pt 4

In the title compound, C(12)H(14)N(2)O(3)S, the propyl acetate group and the benzoyl group adopt a cis-trans conformation, respectively, with respect to the thiono S atom across the C-N bonds. The phenyl ring is twisted relative to the the thio-urea mean plane, forming a dihedral angle of 24.16 (9)°. An intra-molecular N-H⋯O hydrogen bond occurs. The crystal packing is stabilized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, forming a chain along the a axis. ...[more]

PMID: 21754071

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