Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 12 (December 2005)


organic compounds



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Acta Cryst. (2005). C61, o731-o734    [doi:10.1107/S0108270105037066]

(±)-Methyl and (±)-ethyl 4-(2,3-difluorophenyl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

A. Linden, R. Simsek, M. Gündüz and C. Safak

Abstract: The title compounds, C20H21F2NO3 and C21H23F2NO3, respectively, belong to a class of 1,4-dihydropyridines whose members sometimes display calcium modulatory properties. The 1,4-dihydropyridine rings have the usual shallow boat conformation. In each structure, the 2,3-difluorophenyl ring is oriented such that the fluoro substituents are in a synperiplanar orientation with respect to the 1,4-dihydropyridine ring plane and the oxocyclohexene ring has a slightly distorted envelope conformation. Both structures exhibit the same intermolecular N-H...O hydrogen-bonding motif, in which the molecules are linked into chains by interactions involving the carbonyl O atom of the oxocyclohexene ring.

Formula: C20H21F2NO3 and C21H23F2NO3


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Contains datablock II


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