1-[5-Acetyl-2,6-dimethyl-4-(5-phenyl-1H-pyrazol-3-yl)-1, 4-dihydropyridin-3-yl]ethanone monohydrate
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Date
2012
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Abstract
In the title compound, C<inf>2</inf>0H<inf>2</inf>1N<inf>3</inf>O <inf>2</inf>·H<inf>2</inf>O, the aza-substitued six-membered ring adopts a L4 B conformation. In the crystal, classical N-H?O, N-H?N and O-H?O hydrogen bonds connect the entities into a three-dimensional network. Intramolecular C-H?O contacts are also observed.
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data-to-parameter ratio = 17.9, mean ?(C-C) = 0.002 Å, R factor = 0.040, single-crystal X-ray study, T = 200 K, wR factor = 0.114
Citation
Acta Crystallographica Section E: Structure Reports Online, 2012, 68, 11, pp. o3156-o3157