Abstract
The 1,4-dihydropyridine ring in the title hydrate, C17H18BrNO2·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, supramolecular arrays mediated by N—H⋯Owater and Owater—H⋯Ocarbonyl hydrogen bonding are formed in the bc plane. A highly disordered solvent molecule is present within a molecular cavity defined by the organic and water molecules. Its contribution to the electron density was removed from the observed data in the final cycles of refinement and the formula, molecular weight and density are given without taking into account the contribution of the solvent molecule.
Highlights
The 1,4-dihydropyridine ring in the title hydrate, C17H18BrNO2H2O, has a flattened-boat conformation, and the benzene ring is occupies a position orthogonal to this [dihedral angle: 82.19 (16) ]
Highly disordered solvent molecule is present within a molecular cavity defined by the organic and water molecules
Its contribution to the electron density was removed from the observed data in the final cycles of refinement and the formula, molecular weight and density are given without taking into account the contribution of the solvent molecule
Summary
Organic Chemistry Division, School of Advanced Sciences, VIT University, India, Materials Research Centre, Indian Institute of Science, Bengaluru 560 012, India, and cDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
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