S-ethyl N-benzoyldithiocarbamate: two independent hydrogen-bonded R(2)2(8) dimers of different symmetry linked into chains by a C-H...pi(arene) interaction

John N Low; Justo Cobo; Henry Insuasty; Martin Estrada; Edward Cortés; Christopher Glidewell

doi:10.1107/S0108270104012090

S-ethyl N-benzoyldithiocarbamate: two independent hydrogen-bonded R(2)2(8) dimers of different symmetry linked into chains by a C-H...pi(arene) interaction

Acta Crystallogr C. 2004 Jul;60(Pt 7):o483-5. doi: 10.1107/S0108270104012090. Epub 2004 Jun 22.

Authors

John N Low¹, Justo Cobo, Henry Insuasty, Martin Estrada, Edward Cortés, Christopher Glidewell

Affiliation

¹ Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen AB24 3UE, Scotland.

PMID: 15237170
DOI: 10.1107/S0108270104012090

Abstract

The title compound, C10H11NOS2, crystallizes with Z' = 2 in space group C2/c. The molecules are linked by two N-H...S hydrogen bonds [H...S = 2.60 and 2.62 A, N...S = 3.350 (2) and 3.490 (2) A, and N-H...S = 143 and 172 degrees] into two distinct types of R(2)2(8) dimer, viz. one generated by inversion and the other by a twofold rotation axis. A single C-H...pi(arene) hydrogen bond links the two types of dimer into chains.