Crystal structure of N-(propan-2-yl-carbamo-thio-yl)benzamide

Jerry P Jasinski; Mehmet Akkurt; Shaaban K Mohamed; Mohamed A Gad; Mustafa R Albayati

doi:10.1107/S2056989014027133

Crystal structure of N-(propan-2-yl-carbamo-thio-yl)benzamide

Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):o56-7. doi: 10.1107/S2056989014027133.

Authors

Jerry P Jasinski¹, Mehmet Akkurt², Shaaban K Mohamed³, Mohamed A Gad⁴, Mustafa R Albayati⁵

Affiliations

¹ Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.
² Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
³ Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
⁴ Chemistry Department, Faculty of Science, Sohag University, 82524 Sohag, Egypt.
⁵ Kirkuk University, College of Science, Department of Chemistry, Kirkuk, Iraq.

Abstract

In the crystal structure of the title compound, C11H14N2OS, the six atoms of the central C2N2OS residue are coplanar (r.m.s. deviation = 0.002 Å), which facilitates the formation of an intra-molecular N-H⋯O hydrogen bond, which closes an S(6) loop. The terminal phenyl ring is inclined with respect to the central plane [dihedral angle = 42.10 (6)°]. The most prominent feature of the crystal packing is the formation of {⋯HNCS}2 synthons resulting in centrosymmetric dimers.

Keywords: conformation; crystal structure; hydrogen bonding; thiourea.