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vol.46 número2DISEÑO RACIONAL DE COMPUESTOS ANTIBACTERIANOS DERIVADOS DEL 5-NITROFURANO USANDO MODELADO MOLECULAR índice de autoresíndice de assuntospesquisa de artigos
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Boletín de la Sociedad Chilena de Química

versão impressa ISSN 0366-1644

Resumo

DUQUE, JULIO et al. CRYSTAL STRUCTURE OF 3-CARBOXYMETHYL-4-(4- CHLOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8- HEXAHYDROQUINOLEINE. Bol. Soc. Chil. Quím. [online]. 2001, vol.46, n.2, pp.105-111. ISSN 0366-1644.  http://dx.doi.org/10.4067/S0366-16442001000200002.

3- carboxymethyl- 4- (4-chlorophenyl) -2, 7, 7- trimethyl- 5-oxo -1,4,5,6,7,8-hexahydroquinoleine C20 H22 O3 N Cl cristallyzed from ethanol solution as transparent white crystal, the crystal belong to an monoclinic system with space group P21/n, with a= 9.331(2), b= 18.340(4) and c= 11.493(2) Å,b= 109.74(2)°, Z=4. The 4-aryl substituent occupies a pseudoaxial possition, almost orthogonal to the plane of the dihydropyridine ring. The ester group show a preference for the trans arrangement with respect to the double bond of the dihydropyridine ring. The 1,4-dihydropyridine ring adopts a "boat" conformation. There are two hydrogen bonds, intramolecular hydrogen bond between C2A methyl group O1 [C2A....O1]: 2.724(8) Å and intermolecular hydrogen bond [N....O3]: 2.861(1) Å

Palavras-chave : x-ray diffraction; Molecular conformation; Pharmacological effect.

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