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Crystal structure and Hirshfeld surface analysis of 4-(4-methylbenzyl)-6-phenylpyridazin-3(2H)-one

Authors :
Said Daoui
Emine Berrin Cinar
Fouad El Kalai
Rafik Saddik
Khalid Karrouchi
Noureddine Benchat
Cemile Baydere
Necmi Dege
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 9, Pp 1352-1356 (2019)
Publication Year :
2019
Publisher :
International Union of Crystallography, 2019.

Abstract

In this paper, we describe the synthesis of a new dihydro-2H-pyridazin-3-one derivative. The molecule, C18H16N2O, is not planar; the benzene and pyridazine rings are twisted with respect to each other, making a dihedral angle of 11.47 (2)°, and the toluene ring is nearly perpendicular to the pyridazine ring, with a dihedral angle of 89.624 (1)°. The molecular conformation is stabilized by weak intramolecular C—H...N contacts. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into inversion dimers with an R22(8) ring motif. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional (2D) fingerprint plots, revealing that the most important contributions for the crystal packing are from H...H (56.6%), H...C/C...H (22.6%), O...H/H...O (10.0%) and N...C/C...N (3.5%) interactions.

Details

Language :
English
ISSN :
20569890
Volume :
75
Issue :
9
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.f14bf973a99411493b60b5d363bfd73
Document Type :
article
Full Text :
https://doi.org/10.1107/S2056989019011551