Synthesis, crystal structure and Hirshfeld surface analysis of diethyl 2,6-dimethyl-4-(thiophen-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
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 a...
Gespeichert in:
Veröffentlicht in: | ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS 2019-12, Vol.75 (Pt 12), p.1861-+ |
---|---|
Hauptverfasser: | , , , , , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Zusammenfassung: | 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%). |
---|---|
ISSN: | 2056-9890 2056-9890 |