1-[5-Acetyl-4-(4-bromo-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridin-3-yl]ethanone monohydrate

The 1,4-dihydro-pyridine ring in the title hydrate, C(17)H(18)BrNO(2)·H(2)O, 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⋯O(water) and O(water)-H⋯O(carbo...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2010-02, Vol.66 (Pt 3), p.o658-o659
Hauptverfasser: Reddy, Palakshi B, Vijayakumar, V, Sarveswari, S, Narasimhamurthy, T, Tiekink, Edward R T
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Sprache:eng
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Zusammenfassung:The 1,4-dihydro-pyridine ring in the title hydrate, C(17)H(18)BrNO(2)·H(2)O, 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⋯O(water) and O(water)-H⋯O(carbon-yl) 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.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536810006124