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Updated: May 28, 2025
Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Crystal structure, Hirshfeld surface analysis and crystal voids of 4-nitro-benzo[c][1,2,5]selena-diazole
Atash V Gurbanov1,2, Tuncer Hökelek3, Gunay Z Mammadova4
1Excellence Center, Baku State University, Z. Xalilov Str. 23, Az 1148 Baku, Azerbaijan.
Abstract:
The title mol-ecule, C6H3N3O2Se, is almost planar. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into a network structure, enclosing R 2 2(7) and R 3 3(8) ring motifs, parallel to the bc plane. There are π-π inter-actions 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%) inter-actions. Hydrogen bonding and van der Waals inter-actions are the dominant inter-actions in the crystal packing. The volume of the crystal voids and the percentage of free space were calculated to be 25.60 Å3 and 3.73%, showing that there is no large cavity in the crystal.
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