1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate.

Abstract

In the title compound, C9H13N3O4, an ester of the anti-infection drug secnidazole, the dihedral angle between the nitro-imidazole mean plane (r.m.s. deviation = 0.028 Å) and the pendant acetate group is 43.17 (11)°. In the crystal, inversion dimers linked by pairs of C-H⋯O inter-actions generate R 2 (2)(10) loops and further C-H⋯O hydrogen bonds link the dimers into [100] chains. Weak aromatic π-π stacking inter-actions with a centroid-centroid distance of 3.7623 (11) Å are also observed.

• Authors: Hafiz Abdullah Shahid, Ejaz Hussain, Sajid Jahangir, Sammer Yousuf
• Journal: Acta crystallographica. Section E, Structure reports online (Acta Crystallogr Sect E Struct Rep Online) Vol. 70 Issue Pt 3 Pg. o294 (Mar 01 2014) ISSN: 1600-5368 [Print] United States
• PMID: 24765001 (Publication Type: Journal Article)