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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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
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author Shahid, Hafiz Abdullah
Hussain, Ejaz
Jahangir, Sajid
Yousuf, Sammer
author_facet Shahid, Hafiz Abdullah
Hussain, Ejaz
Jahangir, Sajid
Yousuf, Sammer
author_sort Shahid, Hafiz Abdullah
collection PubMed
description 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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spelling pubmed-39984492014-04-24 1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate Shahid, Hafiz Abdullah Hussain, Ejaz Jahangir, Sajid Yousuf, Sammer Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2014-02-15 /pmc/articles/PMC3998449/ /pubmed/24765001 http://dx.doi.org/10.1107/S1600536814002505 Text en © Shahid et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Shahid, Hafiz Abdullah
Hussain, Ejaz
Jahangir, Sajid
Yousuf, Sammer
1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate
title 1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate
title_full 1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate
title_fullStr 1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate
title_full_unstemmed 1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate
title_short 1-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate
title_sort 1-(2-methyl-5-nitro-1h-imidazol-1-yl)propan-2-yl acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998449/
https://www.ncbi.nlm.nih.gov/pubmed/24765001
http://dx.doi.org/10.1107/S1600536814002505
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