Etoricoxibium picrate

Jasinski, J. P. and Butcher, Ray J. and Siddegowda, M. S. and Yathirajan, H. S. and Ramesha, A. R. (2011) Etoricoxibium picrate. Acta Crystallographica Section E-Structure Reports Online, 67 (1). O107-U2283. ISSN 1600-5368

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In the cation of the title salt (systematic name: 5-{5-chloro-3-4-(methylsulfonyl)phenyl]-2-pyridyl}-2-methylpyridini um 2,4,6-trinitrophenolate), C18H16ClN2O2S+center dot C6H2N3O7-, the mean planes of the two pyridine rings in the bipyridine unit are twisted by 33.9 (2)degrees with respect to each other. The dihedral angles between the mean planes of the sulfonyl-benzene ring and the chloropyridine and methylpyridine rings are 51.2 (0) and 49.3 (9)degrees, respectively. The picrate anion interacts with the protonated N atom through a bifurcated N-H center dot center dot center dot(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 center dot center dot center dot O hydrogen bonds, weak C-H center dot center dot center dot O and pi-pi 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].

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: Users 23 not found.
Date Deposited: 13 Jun 2019 13:40
Last Modified: 13 Jul 2022 10:59

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