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Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o330-1. doi: 10.1107/S1600536813002894. Epub 2013 Feb 2.

1-(2-Furo-yl)-3-(2-meth-oxy-4-nitro-phen-yl)thio-urea.

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  • 1Department of Chemistry, M. M. V., Banaras Hindu University, Varanasi 221 005, India.

Abstract

The asymmetric unit of the title compound, C13H11N3O5S, contains two independent mol-ecules, which are linked by a pair of inter-molecular N-H⋯S hydrogen bonds, forming an R2(2)(8) ring motif. The central thio-urea core forms dihedral angles of 3.02 (12) and 14.00 (10)° with the essentially planar furoyl groups [maximum deviations = 0.030 (2) and 0.057 (2) Å] in the two mol-ecules and dihedral angles of 2.43 (13) and 8.03 (12)° with the benzene rings. The dihedral angles between the furoyl and benzene rings in the two mol-ecules are 3.97 (10) and 5.98 (9)°. The trans-cis geometry of the thio-urea group is stabilized by three intra-molecular N-H⋯O hydrogen bonds involving carbonyl and meth-oxy O atoms with the H atom of the cis-thio-amide group and between furan O atom and the other thio-amide H atom. There is also a weak intra-molecular C-H⋯S inter-action in each mol-ecule.

PMID:
23476526
[PubMed]
PMCID:
PMC3588461
Free PMC Article

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