Crystal structure and Hirshfeld surface analysis of a new polymorph of chloridobis(1,10-phenanthroline-κ 2 N , N ′)copper(II) perchlorate

The title salt (systematic name: 2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium chloride), [CuCl(C 12 H 8 N 2 ) 2 ](ClO 4 ), is comprised of a mononuclear complex cation [Cu(phen) 2 Cl] + (phen is 1,10-phenanthroline) and a perchlorate anion, ClO 4 − , both with point group symmetry 2. The Cu II atom has a slightly distorted trigonal–bipyramidal coordination environment, defined by a N 4 Cl coordination set with the Cl atom and two N atoms at the equatorial sites. In the crystal, each phen ring is parallel to neighboring phen rings. The resulting significant π–π stacking interactions lead to zigzag chains extending parallel to [001]. Hirshfeld surface analysis suggests that the most important contributions to the surface contacts are from H...H (32.1%), H...C/C...H (18.2%), H...O/O...H (14.6%), H...Cl/Cl...H (12.7%) and C...C (10.6%) interactions.