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. 2014 Feb 15;70(Pt 3):o294.
doi: 10.1107/S1600536814002505. eCollection 2014 Mar 1.

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

Hafiz Abdullah Shahid  1 , Ejaz Hussain  2 , Sajid Jahangir  1 , Sammer Yousuf  2
Affiliations

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

Hafiz Abdullah Shahid et al. Acta Crystallogr Sect E Struct Rep Online. .

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.

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Figures

Fig. 1.
Fig. 1.
Fig:1 The molecular structure of title compound I, showing displacement ellipsoids drawn at 50% probability level.
Fig. 2.
Fig. 2.
Fig: 2 Crystal packing diagram, showing intermolecular hydrogen bonding as dashed lines.
See this image and copyright information in PMC

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