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3-[3-(2-Fluoro-benzo-yl)thio-ureido]propionic acid.

ABSTRACT: In the title compound, C10H11FN3O3S, the 2-fluoro-benzoyl and proponic acid groups maintain a trans-cis conformation with respect to the thiono C=S bond across their C-N bonds. The propionic acid group adopts an anti conformation about the C-C bond, with an N-C-C-C torsion angle of 173.8?(2)°. The amino groups are involved in the formation of intra-molecular N-H?O and N-H?F hydrogen bonds. In the crystal, pairs of O-H?O hydrogen bonds link mol-ecules into inversion dimers.

SUBMITTER: Ngah N

PROVIDER: S-EPMC4051025 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

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3-[3-(2-Fluoro-benzo-yl)thio-ureido]propionic acid.

Ngah Nurziana N Mohamed Nor Azanita NA Yamin Bohari M BM Mohd Zaki Hamizah H

Acta crystallographica. Section E, Structure reports online 20140524 Pt 6

In the title compound, C10H11FN3O3S, the 2-fluoro-benzoyl and proponic acid groups maintain a trans-cis conformation with respect to the thiono C=S bond across their C-N bonds. The propionic acid group adopts an anti conformation about the C-C bond, with an N-C-C-C torsion angle of 173.8 (2)°. The amino groups are involved in the formation of intra-molecular N-H⋯O and N-H⋯F hydrogen bonds. In the crystal, pairs of O-H⋯O hydrogen bonds link mol-ecules into inversion dimers. ...[more]

PMID: 24940277

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