Title of article :
Synthesis, crystal structure and Hirshfeld surface analysis of diethyl 2,6-dimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Author/Authors :
Quoc, Trung Vu Faculty of Chemistry - Hanoi National University of Education, Vietnam , Thi Thuy, Duong Tran Faculty of Chemistry - Hanoi National University of Education, Vietnam , Quoc, Manh Vu Faculty of Foundation Science - College of Printing Industry, Vietnam , Ngoc, Thanh Phung Faculty of Chemistry - Hanoi National University of Education, Vietnam , Nguyen, Hien Faculty of Chemistry - Hanoi National University of Education, Vietnam , Khanh, Linh Duong Faculty of Chemistry - Hanoi National University of Education, Vietnam , Quang, Anh Tu Faculty of Chemistry - Hanoi National University of Education, Vietnam , Meervelt, Luc Van Department of Chemistry - KU Leuven - Biomolecular Architecture, Belgium
Abstract :
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%).
Keywords :
crystal structure , hydrogen bonding , Hirshfeld analysis , 1,4-dihydropyridine
