Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester
Anatoly Mishnev, Egils Bisenieks, Ilona Mandrika and 4 more
Acta Crystallographica Section E: Crystallographic Communications · 2018
doi:10.1107/s2056989018014251 (opens in a new tab)
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Abstract
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.
Abstract licence: CC BY
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