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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...

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Autores principales: Jasinski, Jerry P., Butcher, Ray J., Siddegowda, M. S., Yathirajan, H. S., Ramesha, A. R.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
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].
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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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