2-Methyl-3-nitro­benzonitrile

The asymmetric unit of the title compound, C(8)H(6)N(2)O(2), contains two independent mol­ecules, the aromatic rings of which are oriented at a dihedral angle of 1.68 (3)°. Intra­molecular C—H⋯O hydrogen bonds result in the formation of two non-planar six-membered rings, which adopt envelope and twi...

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Detalles Bibliográficos
Autores principales: Han, Guo-zhi, Han, Lu-na, Lu, Ran-zhe, Zhang, Min, Wang, Hai-bo
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959969/
https://www.ncbi.nlm.nih.gov/pubmed/21581435
http://dx.doi.org/10.1107/S1600536808039354
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author Han, Guo-zhi
Han, Lu-na
Lu, Ran-zhe
Zhang, Min
Wang, Hai-bo
author_facet Han, Guo-zhi
Han, Lu-na
Lu, Ran-zhe
Zhang, Min
Wang, Hai-bo
author_sort Han, Guo-zhi
collection PubMed
description The asymmetric unit of the title compound, C(8)H(6)N(2)O(2), contains two independent mol­ecules, the aromatic rings of which are oriented at a dihedral angle of 1.68 (3)°. Intra­molecular C—H⋯O hydrogen bonds result in the formation of two non-planar six-membered rings, which adopt envelope and twisted conformations. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules. There are π–π contacts between the benzene rings [centroid–centroid distances = 3.752 (3) and 3.874 (3) Å].
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spelling pubmed-29599692010-12-30 2-Methyl-3-nitro­benzonitrile Han, Guo-zhi Han, Lu-na Lu, Ran-zhe Zhang, Min Wang, Hai-bo Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(8)H(6)N(2)O(2), contains two independent mol­ecules, the aromatic rings of which are oriented at a dihedral angle of 1.68 (3)°. Intra­molecular C—H⋯O hydrogen bonds result in the formation of two non-planar six-membered rings, which adopt envelope and twisted conformations. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules. There are π–π contacts between the benzene rings [centroid–centroid distances = 3.752 (3) and 3.874 (3) Å]. International Union of Crystallography 2008-11-29 /pmc/articles/PMC2959969/ /pubmed/21581435 http://dx.doi.org/10.1107/S1600536808039354 Text en © Han 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
Han, Guo-zhi
Han, Lu-na
Lu, Ran-zhe
Zhang, Min
Wang, Hai-bo
2-Methyl-3-nitro­benzonitrile
title 2-Methyl-3-nitro­benzonitrile
title_full 2-Methyl-3-nitro­benzonitrile
title_fullStr 2-Methyl-3-nitro­benzonitrile
title_full_unstemmed 2-Methyl-3-nitro­benzonitrile
title_short 2-Methyl-3-nitro­benzonitrile
title_sort 2-methyl-3-nitro­benzonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959969/
https://www.ncbi.nlm.nih.gov/pubmed/21581435
http://dx.doi.org/10.1107/S1600536808039354
work_keys_str_mv AT hanguozhi 2methyl3nitrobenzonitrile
AT hanluna 2methyl3nitrobenzonitrile
AT luranzhe 2methyl3nitrobenzonitrile
AT zhangmin 2methyl3nitrobenzonitrile
AT wanghaibo 2methyl3nitrobenzonitrile

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