1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone monohydrate

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Abstract

The 1,4-dihydro-pyridine ring in the title hydrate, C17H 18BrNO2·H2O, has a flattened-boat conformation, and the benzene ring is occupies a position orthogonal to this [dihedral angle: 82.19 (16)°]. In the crystal packing, supra-molecular arrays mediated by N - H⋯Owater and Owater - H⋯Ocarbonyl hydrogen bonding are formed in the bc plane. A highly disordered solvent mol-ecule is present within a mol-ecular cavity defined by the organic and water mol-ecules. Its contribution to the electron density was removed from the observed data in the final cycles of refinement and the formula, mol-ecular weight and density are given without taking into account the contribution of the solvent mol-ecule.

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Reddy, P. B., Vijayakumar, V., Sarveswari, S., Narasimhamurthy, T., & Tiekink, E. R. T. (2010). 1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone monohydrate. Acta Crystallographica Section E: Structure Reports Online, 66(3). https://doi.org/10.1107/S1600536810006124

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