Author/Authors :
Akkurt, Mehmet Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Akkurt, Mehmet Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Askerova, Ulviyya F. Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Mukhtarova, Sevinc H. Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Mammadova, Gunay Z. Department of Physics - Faculty of Sciences - Erciyes University, Turkey , Toze, Flavien A. A. Department of Chemistry - Faculty of Sciences - University of Douala, Republic of Cameroon
Abstract :
In the title compound, C16H11Cl2N3O, the 4-methoxy-substituted benzene ring makes a dihedral angle of 41.86 (9)° with the benzene ring of the benzonitrile group. In the crystal, molecules are linked into layers parallel to (020) by C—H⋯O contacts and face-to-face π–π stacking interactions [centroid–centroid distances = 3.9116 (14) and 3.9118 (14) Å] between symmetry-related aromatic rings along the a-axis direction. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from Cl⋯H/H⋯Cl (22.8%), H⋯H (21.4%), N⋯H/H⋯N (16.1%), C⋯H/H⋯C (14.7%) and C⋯C (9.1%) interactions.
Keywords :
4-methoxyphenyl ring , benzonitrile , Hirshfeld surface analysis , face-to-face π–π stacking interactions , crystal structure
