Dimethyl 2,6-dimethyl-4-{3-[4-(methylsulfanyl)phenyl]-1H-pyrazol-4-yl}-1,4- dihydropyridine-3,5-dicarboxylate monohydrate
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Date
2012
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Abstract
In the title compound, C21H23N3O4S·H<inf>2</inf>O, the methylsulfanyl group is disordered over two sets of sites with site-occupancy factors of 0.631 (11) and 0.369 (11). The dihydropyridine ring adopts an E 4 conformation. In the crystal, classical O-H?N, O-H?O and N-H?O hydrogen bonds, as well as C-H?O and C-H?S contacts, connect the molecules into a three-dimensional network.
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Keywords
data-to-parameter ratio = 16.9, disorder in main residue, mean ?(C-C) = 0.002 Å, R factor = 0.040, single-crystal X-ray study, T = 200 K, wR factor = 0.111
Citation
Acta Crystallographica Section E: Structure Reports Online, 2012, 68, 12, pp. o3302-o3303
