Crystal structure and Hirshfeld surface analysis of (E)-6-(4-hydroxy-3-methoxystyryl)-4,5-dihydropyridazin-3(2H)-one.

Autor: Daoui, Said, Baydere, Cemile, Kalai, Fouad El, Saddik, Rafik, Dege, Necmi, Karrouchi, Khalid, Benchat, Noureddine
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications; Nov2019, Vol. 75 Issue 11, p1734-1737, 8p
Abstrakt: In the title com­pound, C13H14N2O3, the dihydropyridazine ring (r.m.s. deviation = 0.166 Å) has a screw-boat conformation. The dihedral angle between its mean plane and the benzene ring is 0.77 (12)°. In the crystal, inter­molecular O—H∙∙∙O hydrogen bonds generate C(5) chains and N—H∙∙∙O hydrogen bonds produce R2²(8) motifs. These types of inter­actions lead to the formation of layers parallel to (12). The three-dimensional network is achieved by C—H∙∙∙O inter­actions, including R24(8) motifs. Inter­molecular inter­actions were additionally investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots. The most significant contributions to the crystal packing are by H∙∙∙H (43.3%), H∙∙∙C/C∙∙∙H (19.3%), HO/HO (22.6%), CN/NC (3.0%) and H∙∙∙N/N∙∙∙H (5.8%) contacts. C—H∙∙∙π inter­actions and aromatic π–π stacking inter­actions are not observed. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index