Acta Cryst. (2006). C62, o227-o230 [ doi:10.1107/S0108270106007530 ]
Abstract: A mixture of the RR/SS and RS/SR diastereoisomeric pairs of methyl 4-(2,4-dichlorophenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H19Cl2NO3, forms cocrystals in which there is one unique molecule in the asymmetric unit, but the molecule displays disorder in the region of the 7-position of the quinoline ring system as a result of the random occurrence of the diastereoisomers at the same crystallographic site. A similar arrangement exists in the monohydrate cocrystals that form from a mixture of the RR/SS and RS/SR diastereoisomeric pairs of methyl 4-(2,4-dichlorophenyl)-2-methyl-7-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate monohydrate, C24H21Cl2NO3·H2O. These compounds belong to a class of 1,4-dihydropyridines whose members have calcium modulatory properties. The 1,4-dihydropyridine rings have the usual shallow boat conformation. In each structure, the 2,4-dichlorophenyl ring is oriented such that the 2-chloro substituent is in a synperiplanar orientation with respect to the 1,4-dihydropyridine ring plane. In each crystal structure, the molecules are linked into chains by N-H
O hydrogen-bonding interactions.
Formula: C19H19Cl2NO3 and C24H21Cl2NO3·H2O
 |   Structure factor file (CIF format) (159.7 kbytes) |
| Structure factor file (CIF format) (195.2 kbytes) |
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