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

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.

SUBMITTER: Pratap S 

PROVIDER: S-EPMC3588461 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature