Crystal structure and Hirshfeld surface analysis of (3 S,3a R,6a S)-3-(1,3-diphenyl-1 H-pyrazol-4-yl)-5-(4-meth-oxy-phen-yl)-2-phenyl-3,3a,4,5,6,6a-hexa-hydro-2 H-pyrrolo-[3,4- d][1,2]oxazole-4,6-dione

Abstract

In the title compound, C₃₃H₂₆N₄O₄, the two fused five-membered rings and their N-bound aromatic substituents form a pincer-like motif. The relative conformations about the three chiral carbon atoms are established. In the crystal, a combination of C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π(ring) inter-actions leads to the formation of layers parallel to the bc plane. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H⋯H (44.3%), C⋯H/H⋯C (29.8%) and O⋯H/H⋯O (15.0%) contacts.

Keywords: C—H⋯π(ring); Hirshfeld surface analysis; crystal structure; hydrogen bond; oxazole; pyrrole.