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1-Methyl-4-(4-nitro­benzo­yl)pyridinium perchlorate

In the main mol­ecule of the title compound, C(13)H(11)N(2)O(3) (+)·ClO(4) (−), the two aromatic rings are twisted by 56.19 (3)° relative to each other and the nitro group is not coplanar with the benzene ring [36.43 (4)°]. The crystal packing is dominated by infinite aromatic stacks in the a-axis d...

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Autores principales: Gruber, Tobias, Eissmann, Frank, Weber, Edwin, Schüürmann, Gerrit
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200796/
https://www.ncbi.nlm.nih.gov/pubmed/22059070
http://dx.doi.org/10.1107/S1600536811034945
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author Gruber, Tobias
Eissmann, Frank
Weber, Edwin
Schüürmann, Gerrit
author_facet Gruber, Tobias
Eissmann, Frank
Weber, Edwin
Schüürmann, Gerrit
author_sort Gruber, Tobias
collection PubMed
description In the main mol­ecule of the title compound, C(13)H(11)N(2)O(3) (+)·ClO(4) (−), the two aromatic rings are twisted by 56.19 (3)° relative to each other and the nitro group is not coplanar with the benzene ring [36.43 (4)°]. The crystal packing is dominated by infinite aromatic stacks in the a-axis direction. These are formed by the benzene units of the mol­ecule featuring an alternating arrangement, which explains the two different distances of 3.3860 (4) and 3.4907 (4) Å for the aromatic units (these are the perpendicular distances of the centroid of one aromatic ring on the mean plane of the other other aromatic ring). Adjacent stacks are connected by π–π stacking between two pyridinium units [3.5949 (4) Å] and weak C—H⋯O inter­actions. The perchlorate anions are accomodated in the lattice voids connected to the cation via weak C—H⋯O contacts between the O atoms of the anion and various aromatic as well as methyl H atoms.
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spelling pubmed-32007962011-11-06 1-Methyl-4-(4-nitro­benzo­yl)pyridinium perchlorate Gruber, Tobias Eissmann, Frank Weber, Edwin Schüürmann, Gerrit Acta Crystallogr Sect E Struct Rep Online Organic Papers In the main mol­ecule of the title compound, C(13)H(11)N(2)O(3) (+)·ClO(4) (−), the two aromatic rings are twisted by 56.19 (3)° relative to each other and the nitro group is not coplanar with the benzene ring [36.43 (4)°]. The crystal packing is dominated by infinite aromatic stacks in the a-axis direction. These are formed by the benzene units of the mol­ecule featuring an alternating arrangement, which explains the two different distances of 3.3860 (4) and 3.4907 (4) Å for the aromatic units (these are the perpendicular distances of the centroid of one aromatic ring on the mean plane of the other other aromatic ring). Adjacent stacks are connected by π–π stacking between two pyridinium units [3.5949 (4) Å] and weak C—H⋯O inter­actions. The perchlorate anions are accomodated in the lattice voids connected to the cation via weak C—H⋯O contacts between the O atoms of the anion and various aromatic as well as methyl H atoms. International Union of Crystallography 2011-08-31 /pmc/articles/PMC3200796/ /pubmed/22059070 http://dx.doi.org/10.1107/S1600536811034945 Text en © Gruber et al. 2011 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
Gruber, Tobias
Eissmann, Frank
Weber, Edwin
Schüürmann, Gerrit
1-Methyl-4-(4-nitro­benzo­yl)pyridinium perchlorate
title 1-Methyl-4-(4-nitro­benzo­yl)pyridinium perchlorate
title_full 1-Methyl-4-(4-nitro­benzo­yl)pyridinium perchlorate
title_fullStr 1-Methyl-4-(4-nitro­benzo­yl)pyridinium perchlorate
title_full_unstemmed 1-Methyl-4-(4-nitro­benzo­yl)pyridinium perchlorate
title_short 1-Methyl-4-(4-nitro­benzo­yl)pyridinium perchlorate
title_sort 1-methyl-4-(4-nitro­benzo­yl)pyridinium perchlorate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200796/
https://www.ncbi.nlm.nih.gov/pubmed/22059070
http://dx.doi.org/10.1107/S1600536811034945
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