1-Isopropyl-4-nitro-6-meth­oxy-1H-benzimidazole

There are two independent mol­ecules in the asymmetric unit of the title compound, C(11)H(13)N(3)O(3). The inter­planar angles for the two rings of the benzimidazole ring system is 2.21 (12)° in one mol­ecule and 0.72 (12)° in the other. The nitro group is twisted in the same direction relative to t...

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Detalles Bibliográficos
Autores principales: Moore, Michael D., Jain, Prashi, Flaherty, Patrick T., Wildfong, Peter L. D.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961682/
https://www.ncbi.nlm.nih.gov/pubmed/21202960
http://dx.doi.org/10.1107/S160053680801859X
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author Moore, Michael D.
Jain, Prashi
Flaherty, Patrick T.
Wildfong, Peter L. D.
author_facet Moore, Michael D.
Jain, Prashi
Flaherty, Patrick T.
Wildfong, Peter L. D.
author_sort Moore, Michael D.
collection PubMed
description There are two independent mol­ecules in the asymmetric unit of the title compound, C(11)H(13)N(3)O(3). The inter­planar angles for the two rings of the benzimidazole ring system is 2.21 (12)° in one mol­ecule and 0.72 (12)° in the other. The nitro group is twisted in the same direction relative to the least-squares plane through its attached benzene ring in both mol­ecules, with inter­planar angles of 15.22 (9) and 18.02 (8)°. In the crystal structure, mol­ecules are stacked along the a axis through π–π inter­actions (centroid–centroid distance 4.1954 Å). C—H⋯O hydrogen bonds are also present.
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spelling pubmed-29616822010-12-30 1-Isopropyl-4-nitro-6-meth­oxy-1H-benzimidazole Moore, Michael D. Jain, Prashi Flaherty, Patrick T. Wildfong, Peter L. D. Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two independent mol­ecules in the asymmetric unit of the title compound, C(11)H(13)N(3)O(3). The inter­planar angles for the two rings of the benzimidazole ring system is 2.21 (12)° in one mol­ecule and 0.72 (12)° in the other. The nitro group is twisted in the same direction relative to the least-squares plane through its attached benzene ring in both mol­ecules, with inter­planar angles of 15.22 (9) and 18.02 (8)°. In the crystal structure, mol­ecules are stacked along the a axis through π–π inter­actions (centroid–centroid distance 4.1954 Å). C—H⋯O hydrogen bonds are also present. International Union of Crystallography 2008-06-25 /pmc/articles/PMC2961682/ /pubmed/21202960 http://dx.doi.org/10.1107/S160053680801859X Text en © Moore et al. 2008 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
Moore, Michael D.
Jain, Prashi
Flaherty, Patrick T.
Wildfong, Peter L. D.
1-Isopropyl-4-nitro-6-meth­oxy-1H-benzimidazole
title 1-Isopropyl-4-nitro-6-meth­oxy-1H-benzimidazole
title_full 1-Isopropyl-4-nitro-6-meth­oxy-1H-benzimidazole
title_fullStr 1-Isopropyl-4-nitro-6-meth­oxy-1H-benzimidazole
title_full_unstemmed 1-Isopropyl-4-nitro-6-meth­oxy-1H-benzimidazole
title_short 1-Isopropyl-4-nitro-6-meth­oxy-1H-benzimidazole
title_sort 1-isopropyl-4-nitro-6-meth­oxy-1h-benzimidazole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961682/
https://www.ncbi.nlm.nih.gov/pubmed/21202960
http://dx.doi.org/10.1107/S160053680801859X
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AT flahertypatrickt 1isopropyl4nitro6methoxy1hbenzimidazole
AT wildfongpeterld 1isopropyl4nitro6methoxy1hbenzimidazole

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