Crystal structure and Hirshfeld surface analysis of 5-[(5-nitro-1 H-indazol-1-yl)methyl]-3-phenyl-4,5-dihydroisoxazole


Boulhaoua M., KANSIZ S., El Hafi M., Lahmidi S., Dege N., Benchidmi M., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.75, ss.71-74, 2019 (Scopus) identifier identifier

Özet

In the title compound, C17H14N4O3, the indazole unit is planar to within 0.0171 (10) Å and makes dihedral angles of 6.50 (6) and 6.79 (4)°, respectively, with the nitro and pendant phenyl groups. The conformation of the oxazole ring is best described as an envelope. In the crystal, oblique stacks along the a-Axis direction are formed by π-π stacking interactions between the indazole unit and the pendant phenyl rings of adjacent molecules. The stacks are linked into pairs through C-H⋯O hydrogen bonds. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (36.3%), O⋯H/H⋯O (23.4%), C⋯H/H⋯C (13.4%) and N⋯H/H⋯N (11.4%) interactions.