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Updated: Jun 1, 2026
Preparation of Enantiopure Non-Activated Aziridines and Synthesis of Biemamide B, D, and epiallo-Isomuscarine
Published on: June 13, 2022
1-[5-Acetyl-4-(4-bromo-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridin-3-yl]ethanone monohydrate
Abstract:
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.
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