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1-Furoyl-3-[3-(trifluoro-meth-yl)phen-yl]thio-urea.

ABSTRACT: The title compound, C(13)H(9)F(3)N(2)O(2)S, crystallizes with two independent mol-ecules in the asymmetric unit. The central thio-urea core is roughly coplanar with the furan and benzene rings, showing O-C-N-C(S) torsion angles of 2.3?(4) and -11.4?(2)° and (S)C-N-C-C torsion angles of -2.4?(4) and -28.8?(4)°, respectively, in the two independent mol-ecules. The trans-cis geometry of the thio-urea fragment is stabilized by an intra-molecular N-H?O hydrogen bond between the H atom of the cis thio-amide and the carbonyl O atom. In the crystal structure, inter-molecular N-H?S hydrogen bonds form centrosymmetric dimers extending along the b axis.

SUBMITTER: Theodoro JE

PROVIDER: S-EPMC2977699 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

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1-Furoyl-3-[3-(trifluoro-meth-yl)phen-yl]thio-urea.

Theodoro Jahyr E JE Estévez-Hernández O O Ellena J J Duque J J Corrêa Rodrigo S RS

Acta crystallographica. Section E, Structure reports online 20090410 Pt 5

The title compound, C(13)H(9)F(3)N(2)O(2)S, crystallizes with two independent mol-ecules in the asymmetric unit. The central thio-urea core is roughly coplanar with the furan and benzene rings, showing O-C-N-C(S) torsion angles of 2.3 (4) and -11.4 (2)° and (S)C-N-C-C torsion angles of -2.4 (4) and -28.8 (4)°, respectively, in the two independent mol-ecules. The trans-cis geometry of the thio-urea fragment is stabilized by an intra-molecular N-H⋯O hydrogen bond between the H atom of the cis thio ...[more]

PMID: 21583835

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