Unknown

Dataset Information

0

Synthesis, crystal structure and Hirshfeld surface analysis of diethyl 2,6-dimethyl-4-(thio-phen-3-yl)-1,4-di-hydro-pyridine-3,5-di-carboxyl-ate.


ABSTRACT: In the title compound, C17H21NO4S, the 1,4-di-hydro-pyridine ring has an envelope conformation with the Csp 3 atom at the flap. The thio-phene ring is nearly perpendicular to the best plane through the 1,4-di-hydro-pyridine ring, the dihedral angle being 82.19 (13)°. In the crystal, chains running along the b-axis direction are formed through N-H⋯O inter-actions between the 1,4-di-hydro-pyridine N atom and one of the O atoms of the ester groups. Neighbouring chains are linked by C-H⋯O and C-H⋯π inter-actions. A Hirshfeld surface analysis shows that the most prominent contributuion to the surface contacts are H⋯H contacts (55.1%).

SUBMITTER: Vu Quoc T 

PROVIDER: S-EPMC6895956 | biostudies-literature |

REPOSITORIES: biostudies-literature

Similar Datasets

| S-EPMC4120632 | biostudies-literature
| S-EPMC3648309 | biostudies-literature
| S-EPMC2970443 | biostudies-literature
| S-EPMC2969073 | biostudies-literature
| S-EPMC2970188 | biostudies-literature
| S-EPMC3414982 | biostudies-literature
| S-EPMC3007352 | biostudies-literature
| S-EPMC2979369 | biostudies-literature
| S-EPMC2969936 | biostudies-literature
| S-EPMC2983663 | biostudies-literature