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Crystal structure and Hirshfeld surface analysis of 2-(4-bromo-phen-yl)-4-methyl-6-oxo-1-phenyl-1,6-di-hydro-pyridine-3-carbo-nitrile.

Authors :
Naghiyev FN
Khrustalev VN
Dobrokhotova EV
Akkurt M
Khalilov AN
Bhattarai A
Mamedov İG
Source :
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Jul 05; Vol. 78 (Pt 8), pp. 761-765. Date of Electronic Publication: 2022 Jul 05 (Print Publication: 2022).
Publication Year :
2022

Abstract

In the title compound, C <subscript>19</subscript> H <subscript>13</subscript> BrN <subscript>2</subscript> O, the pyridine ring is essentially planar [maximum deviation = 0.024 (4) Å for the N atom] and makes dihedral angles of 74.6 (2) and 65.8 (2)°, respectively, with the phenyl and bromo-phenyl rings, which subtend a dihedral angle of 63.1 (2)°. In the crystal, mol-ecules are connected along the c -axis direction via C-Br⋯π inter-actions, generating zigzag chains parallel to the (010) plane. C-H⋯N and C-H⋯O hydrogen-bonding inter-actions further connect the mol-ecules, forming a three-dimensional network and reinforcing the mol-ecular packing. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (36.2%), C⋯H/H⋯C (21.6%), N⋯H/H⋯N (12.2%), and Br⋯H/H⋯Br (10.8%) inter-actions.<br /> (© Naghiyev et al. 2022.)

Details

Language :
English
ISSN :
2056-9890
Volume :
78
Issue :
Pt 8
Database :
MEDLINE
Journal :
Acta crystallographica. Section E, Crystallographic communications
Publication Type :
Academic Journal
Accession number :
35974837
Full Text :
https://doi.org/10.1107/S2056989022006466