Crystal structure, Hirshfeld surface analysis and crystal voids of 4-nitro­benzo[c][1,2,5]selena­diazole

Abstract

The title compound is almost planar. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into a network structure. There are also π–π inter­actions present with centroid-to-centroid distances of 3.746 (3) and 3.697 (3) Å.

The title mol­ecule, C₆H₃N₃O₂Se, is almost planar. In the crystal, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into a network structure, enclosing R²₂(7) and R³₃(8) ring motifs, parallel to the bc plane. There are π–π inter­actions present with centroid-to-centroid distances of 3.746 (3) and 3.697 (3) Å. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯O/O⋯H (19.6%), H⋯N/N⋯H (11.0%), H⋯Se/Se⋯H (8.5%), O⋯Se/Se⋯O (8.2%), H⋯H (7.4%), C⋯N/N⋯C (7.3%) and N⋯Se/Se⋯N (7.2%) inter­actions. Hydrogen bonding and van der Waals inter­actions are the dominant inter­actions in the crystal packing. The volume of the crystal voids and the percentage of free space were calculated to be 25.60 ų and 3.73%, showing that there is no large cavity in the crystal.