Crystal Structure and Metabolic Activity of 4-(Thien-2-Yl)-2-Methyl-5-Oxo-1,4,5,6,7,8-Hexahydroquinoline-3-Carboxylic Acid Ethoxycarbonylphenyl-Methylester

Acta Crystallographica Section E: Crystallographic Communications 2018
Anatolijs Mišņovs, E. Bisenieks, I. Mandrika, R. Petrovska, Z. Kalme, I. Bruvere, G. Duburs

In the title compound, C25H25NO5S, which exhibits metabolism-regulating activity, the 1,4-dihydropyridine ring adopts a flattened boat conformation while the cyclohexenone ring is in an envelope conformation. Molecules in the crystal are assembled into C(6) chains along the a-axis direction via N - H⋯O hydrogen bonds. The thienyl fragment is disordered over two sets of sites in a 0.7220 (19):0.2780 (19) ratio.

Keywords
1,4-dihydropyridine, Crystal structure, disorder, metabolic activity
DOI
10.1107/S2056989018014251
Hyperlink
http://scripts.iucr.org/cgi-bin/paper?S2056989018014251

Mišņovs, A., Bisenieks, E., Mandrika, I., Petrovska, R., Kalme, Z., Bruvere, I., Duburs, G. Crystal Structure and Metabolic Activity of 4-(Thien-2-Yl)-2-Methyl-5-Oxo-1,4,5,6,7,8-Hexahydroquinoline-3-Carboxylic Acid Ethoxycarbonylphenyl-Methylester. Acta Crystallographica Section E: Crystallographic Communications, 2018, Vol.74, pp.1577-1579. ISSN 2056-9890. Available from: doi:10.1107/S2056989018014251

Publication language
English (en)