Abstract
In the title ester derivative, C28H29NO6·0.5H2O, the 1,4-dihydropyridine ring has a flattened boat conformation. The mean plane is almost perpendicular to the attached benzene ring, making a dihedral angle of 86.87 (9)°. The terminal phenyl ring is inclined to the central benzene ring by 67.56 (12)°. In the crystal, molecules are bridged via O—H⋯O hydrogen bonds involving the partially occupied water molecule, and this arrangement is strengthened by a pair of N—H⋯O hydrogen bonds and C—H⋯O interactions. The ethyl atoms of one of the ethyl ester groups are disordered over two sites with an occupancy ratio of 0.716 (5):0.284 (5).
Highlights
In the title ester derivative, C28H29NO60.5H2O, the 1,4dihydropyridine ring has a flattened boat conformation
The mean plane is almost perpendicular to the attached benzene ring, making a dihedral angle of 86.87 (9)
The terminal phenyl ring is inclined to the central benzene ring by
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.003 Å; disorder in main residue; R factor = 0.048; wR factor = 0.146; data-to-parameter ratio = 14.6. In the title ester derivative, C28H29NO60.5H2O, the 1,4dihydropyridine ring has a flattened boat conformation. The mean plane is almost perpendicular to the attached benzene ring, making a dihedral angle of 86.87 (9). The terminal phenyl ring is inclined to the central benzene ring by. H O hydrogen bonds involving the partially occupied water molecule, and this arrangement is strengthened by a pair of. N—H O hydrogen bonds and C—H O interactions. The ethyl atoms of one of the ethyl ester groups are disordered over two sites with an occupancy ratio of 0.716 (5):0.284 (5)
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