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1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone monohydrate
Reddy P.B, , Narasimhamurthy T, Tiekink E.R.T.,
Published in International Union of Crystallography (IUCr)
Volume: 66
Issue: 3
Pages: o658 - o659
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.
About the journal
JournalActa Crystallographica Section E Structure Reports Online
PublisherInternational Union of Crystallography (IUCr)
Open AccessNo