6,6′-Dimethylsulfinyl-2,2′-bipyridine: crystal structure and Hirshfeld surface analysis

Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties

“…The propensity of imidazole rings to form p/p stacking interactions is much more extensive in compounds 6 and 7 as reected by the highly increased E CC values of 2.67 and 3.33, respectively, which are associated to C/C contacts according to the literature. 19,38 These values explain the relatively low tendency observed for C/H contacts in the two Cd(II) halogencomplexes (E CH ¼ 1.04 for 6, and 0.98 for 7) when compared to remaining structures (E CH ¼ 1.29-1.41), due to both C/C and C/H contacts are presumably in competition. 41 However, the E CC value (1.86) is greatest than unity in compound 5 showing notable likelihood to form C/C contacts, but remarkably lower than those above indicated for 6 and 7, despite the very similar E CH values we found in the three halogen-bonded complexes.…”

“…in the form of pronounced “wings” on the sides of the FP with the shortest ( d i + d e ) ≅ 2.7–2.8 Å, and comprising a 22.2% of the total Hirshfeld surface area. 38 Two upper spots are associated to the acceptor region of the FP (lower right) corresponding to a 12.6% contribution from C⋯H contacts (C inside the surface), while the other two spots are related to the donor region in the FP (upper left) with a lower contribution of 9.6% from H⋯C contacts (H inside the surface). A view of shape index surface ( Fig.…”