Synthesis, crystal structure and Hirshfeld surface analysis of diethyl 2,6-dimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
oleh: Trung Vu Quoc, Duong Tran Thi Thuy, Thanh Phung Ngoc, Manh Vu Quoc, Hien Nguyen, Linh Duong Khanh, Anh Tu Quang, Luc Van Meervelt
| Format: | Article |
|---|---|
| Diterbitkan: | International Union of Crystallography 2019-12-01 |
Deskripsi
In the title compound, C17H21NO4S, the 1,4-dihydropyridine ring has an envelope conformation with the Csp3 atom at the flap. The thiophene ring is nearly perpendicular to the best plane through the 1,4-dihydropyridine ring, the dihedral angle being 82.19 (13)°. In the crystal, chains running along the b-axis direction are formed through N—H...O interactions between the 1,4-dihydropyridine N atom and one of the O atoms of the ester groups. Neighbouring chains are linked by C—H...O and C—H...π interactions. A Hirshfeld surface analysis shows that the most prominent contributuion to the surface contacts are H...H contacts (55.1%).