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

In the title compound, C(9)H(13)N(3)O(4), an ester of the anti-infection drug secnidazole, the dihedral angle between the nitro­imidazole 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 inter­actions gene...

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Detalles Bibliográficos
Autores principales: Shahid, Hafiz Abdullah, Hussain, Ejaz, Jahangir, Sajid, Yousuf, Sammer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998449/
https://www.ncbi.nlm.nih.gov/pubmed/24765001
http://dx.doi.org/10.1107/S1600536814002505
Descripción
Sumario:In the title compound, C(9)H(13)N(3)O(4), an ester of the anti-infection drug secnidazole, the dihedral angle between the nitro­imidazole 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 inter­actions generate R (2) (2)(10) loops and further C—H⋯O hydrogen bonds link the dimers into [100] chains. Weak aromatic π–π stacking inter­actions with a centroid–centroid distance of 3.7623 (11) Å are also observed.

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