Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carb-oxy-lic acid eth-oxy-carbonyl-phenyl-methyl-ester

Anatoly Mishnev; Egils Bisenieks; Ilona Mandrika; Ramona Petrovska; Zenta Kalme; Imanta Bruvere; Gunars Duburs

doi:10.1107/S2056989018014251

Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carb-oxy-lic acid eth-oxy-carbonyl-phenyl-methyl-ester

Acta Crystallogr E Crystallogr Commun. 2018 Oct 12;74(Pt 11):1577-1579. doi: 10.1107/S2056989018014251. eCollection 2018 Nov 1.

Authors

Anatoly Mishnev¹, Egils Bisenieks¹, Ilona Mandrika², Ramona Petrovska², Zenta Kalme¹, Imanta Bruvere¹, Gunars Duburs¹

Affiliations

¹ Latvian Institute of Organic Synthesis, Aizkraukles Str. 21, Riga, LV-1006, Latvia.
² Latvian Biomedical Research and Study Centre, Ratsupites Str. 1, Riga, LV-1067, Latvia.

Abstract

In the title compound, C₂₅H₂₅NO₅S, which exhibits metabolism-regulating activity, the 1,4-di-hydro-pyridine ring adopts a flattened boat conformation while the cyclo-hexenone ring is in an envelope conformation. Mol-ecules 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.

Grants and funding

This work was funded by This study was supported by the Latvian State Research Program Biomedicine (2014-2018). grant .