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Etoricoxibium picrate
In the cation of the title salt (systematic name: 5-{5-chloro-3-[4-(methylsulfonyl)phenyl]-2-pyridyl}-2-methylpyridinium 2,4,6-trinitrophenolate), C(18)H(16)ClN(2)O(2)S(+)·C(6)H(2)N(3)O(7) (−), the mean planes of the two pyridine rings in the bipyridine unit are twisted by 33.9 (2)° with respe...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050426/ https://www.ncbi.nlm.nih.gov/pubmed/21522619 http://dx.doi.org/10.1107/S1600536810050993 |
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author | Jasinski, Jerry P. Butcher, Ray J. Siddegowda, M. S. Yathirajan, H. S. Ramesha, A. R. |
author_facet | Jasinski, Jerry P. Butcher, Ray J. Siddegowda, M. S. Yathirajan, H. S. Ramesha, A. R. |
author_sort | Jasinski, Jerry P. |
collection | PubMed |
description | In the cation of the title salt (systematic name: 5-{5-chloro-3-[4-(methylsulfonyl)phenyl]-2-pyridyl}-2-methylpyridinium 2,4,6-trinitrophenolate), C(18)H(16)ClN(2)O(2)S(+)·C(6)H(2)N(3)O(7) (−), the mean planes of the two pyridine rings in the bipyridine unit are twisted by 33.9 (2)° with respect to each other. The dihedral angles between the mean planes of the sulfonylbenzene ring and the chloropyridine and methylpyridine rings are 51.2 (0) and 49.3 (9)°, respectively. The picrate anion interacts with the protonated N atom through a bifurcated N—H⋯(O,O) hydrogen bond, forming an R (1) (2)(6) ring motif with the N atom from the methylpyridine group of an adjacent cation. N—H⋯O hydrogen bonds, weak C—H⋯O and π–π stacking interactions [centroid–centroid distances = 3.8192 (9)and 3.6749 (9)] occur in the crystal packing, creating a two-dimensional network structure along [110]. |
format | Text |
id | pubmed-3050426 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30504262011-04-26 Etoricoxibium picrate Jasinski, Jerry P. Butcher, Ray J. Siddegowda, M. S. Yathirajan, H. S. Ramesha, A. R. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the cation of the title salt (systematic name: 5-{5-chloro-3-[4-(methylsulfonyl)phenyl]-2-pyridyl}-2-methylpyridinium 2,4,6-trinitrophenolate), C(18)H(16)ClN(2)O(2)S(+)·C(6)H(2)N(3)O(7) (−), the mean planes of the two pyridine rings in the bipyridine unit are twisted by 33.9 (2)° with respect to each other. The dihedral angles between the mean planes of the sulfonylbenzene ring and the chloropyridine and methylpyridine rings are 51.2 (0) and 49.3 (9)°, respectively. The picrate anion interacts with the protonated N atom through a bifurcated N—H⋯(O,O) hydrogen bond, forming an R (1) (2)(6) ring motif with the N atom from the methylpyridine group of an adjacent cation. N—H⋯O hydrogen bonds, weak C—H⋯O and π–π stacking interactions [centroid–centroid distances = 3.8192 (9)and 3.6749 (9)] occur in the crystal packing, creating a two-dimensional network structure along [110]. International Union of Crystallography 2010-12-11 /pmc/articles/PMC3050426/ /pubmed/21522619 http://dx.doi.org/10.1107/S1600536810050993 Text en © Jasinski 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 Jasinski, Jerry P. Butcher, Ray J. Siddegowda, M. S. Yathirajan, H. S. Ramesha, A. R. Etoricoxibium picrate |
title | Etoricoxibium picrate |
title_full | Etoricoxibium picrate |
title_fullStr | Etoricoxibium picrate |
title_full_unstemmed | Etoricoxibium picrate |
title_short | Etoricoxibium picrate |
title_sort | etoricoxibium picrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050426/ https://www.ncbi.nlm.nih.gov/pubmed/21522619 http://dx.doi.org/10.1107/S1600536810050993 |
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