Spectroscopic Studies and Structure of 4-(3-Benzoylthioureido)benzoic Acid

Aydın F., Unver H., Aykaç D., Iskeleli N. O.

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY, vol.40, no.12, pp.1082-1086, 2010 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 40 Issue: 12
  • Publication Date: 2010
  • Doi Number: 10.1007/s10870-010-9799-2
  • Journal Name: JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.1082-1086
  • Çanakkale Onsekiz Mart University Affiliated: Yes

Abstract

4-(3-Benzoylthioureido)benzoic acid has been synthesized from the reaction of 4-aminobenzoic acid with benzoyl isothiocyanate. The title compound has been characterized by elemental analysis, MS, FT-IR, H-1-NMR, C-13-NMR and UV-Visible techniques. The structure of the compound has also been examined crystallographically. The title compound crystallizes in the triclinic space group P-1 with a = 3.969(1), b = 13.039(1), c = 13.504(1) angstrom, alpha = 96.50(1)degrees, beta = 92.25(1)degrees, gamma = 94.94(1), V = 691.0(1) angstrom(3) and D-x = 1.444 g cm(-3), respectively. The crystal structure has been solved by direct methods and refined by full-matrix least squares and found R (1) = 0.031 and wR (2) = 0.081 for 2909 observed reflections [I > 2 sigma(I)].