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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.
- 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