ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.75, pp.1190-1199, 2019 (ESCI)
In the title compound, C16H11Cl2N3O, the 4-methoxy-substituted benzene ring makes a dihedral angle of 41.86 (9)degrees with the benzene ring of the benzonitrile group. In the crystal, molecules are linked into layers parallel to (020) by C-H center dot center dot center dot O contacts and face-to-face pi-pi stacking interactions [centroid-centroid distances = 3.9116 (14) and 3.9118 (14) angstrom] between symmetry-related aromatic rings along the alpha-axis direction. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from Cl center dot center dot center dot H/H center dot center dot center dot Cl (22.8%), H center dot center dot center dot H (21.4%), N center dot center dot center dot H/H center dot center dot center dot N (16.1%), C center dot center dot center dot H/H center dot center dot center dot C (14.7%) and C center dot center dot center dot C (9.1%) interactions.