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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 |
Publicado: |
International Union of Crystallography
2010
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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 |
Sumario: | 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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