Crystal structure and Hirshfeld surface analysis of 2-(4-bromophenyl)-4-methyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carbonitrile


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Naghiyev F. N., Khrustalev V. N., Dobrokhotova E., AKKURT M., Khalilov A. N., Bhattarai A., ...daha çox

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.78, pp.761-765, 2022 (ESCI) identifier identifier identifier

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In the title compound, C19H13BrN2O, the pyridine ring is essentially planar [maximum deviation = 0.024 (4) angstrom for the N atom] and makes dihedral angles of 74.6 (2) and 65.8 (2)degrees, respectively, with the phenyl and bromophenyl rings, which subtend a dihedral angle of 63.1 (2)degrees. In the crystal, molecules are connected along the c-axis direction via C-Br center dot center dot center dot pi interactions, generating zigzag chains parallel to the (010) plane. C-H center dot center dot center dot N and C-H center dot center dot center dot O hydrogen-bonding interactions further connect the molecules, forming a three-dimensional network and reinforcing the molecular packing. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H center dot center dot center dot H (36.2%), C center dot center dot center dot H/H center dot center dot center dot C (21.6%), N center dot center dot center dot H/H center dot center dot center dot N (12.2%), and Br center dot center dot center dot H/H center dot center dot center dot Br (10.8%) interactions.