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

Shaaban K MohamedAwad I SaidJoel T MagueTalaat I El-EmaryMehmet AkkurtSahar M I Elgarhy
Published in: Acta crystallographica. Section E, Crystallographic communications (2021)
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.
Keyphrases
  • crystal structure
  • solid state
  • amino acid
  • solar cells
  • data analysis