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Pratap S., Singh D. P., Gupta S. K., YILDIRIM S., Butcher R. J.

Acta Crystallographica Section E: Structure Reports Online, vol.69, no.3, 2013 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 69 Issue: 3
  • Publication Date: 2013
  • Doi Number: 10.1107/s1600536813002894
  • Journal Name: Acta Crystallographica Section E: Structure Reports Online
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Communication Abstracts, Metadex, Directory of Open Access Journals, Civil Engineering Abstracts
  • Erciyes University Affiliated: Yes


The asymmetric unit of the title compound, C13H11N3O5S, contains two independent molecules, which are linked by a pair of intermolecular N - H⋯S hydrogen bonds, forming an R 2 2(8) ring motif. The central thiourea 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 molecules 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 molecules are 3.97 (10) and 5.98 (9)°. The trans-cis geometry of the thiourea group is stabilized by three intramolecular N - H⋯O hydrogen bonds involving carbonyl and methoxy O atoms with the H atom of the cis-thioamide group and between furan O atom and the other thioamide H atom. There is also a weak intramolecular C - H⋯S interaction in each molecule. © 2013 Pratap et al.