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

Acta Crystallogr Sect E Struct Rep Online

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

Published: March 2013

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.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588461PMC
http://dx.doi.org/10.1107/S1600536813002894DOI Listing

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