Title of article
Crystal structure and Hirshfeld surface analysis of (3S,3aR,6aS)-3-(1,3-diphenyl-1H-pyrazol-4-yl)-5-(4-methoxyphenyl)-2-phenyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Author/Authors
Mohamed, Shaaban K. Chemistry and Environmental Division - Manchester Metropolitan University, England , Said, Awad I. Chemistry Department - Faculty of Science, Assuit University, Egypt , Mague, Joel T. Department of Chemistry - Tulane University, USA , El-Emary, Talaat I. Chemistry Department - Faculty of Science, Assuit University, Egypt , Akkurt, Mehmet Chemistry and Environmental Division - Manchester Metropolitan University, England , Elgarhy, Sahar M. I. Faculty of Science - Department of Bio Chemistry - Beni Suef University, Beni Suef, Egypt
Pages
12
From page
1
To page
12
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) interactions 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
crystal structure , pyrrole , oxazole , hydrogen bond , C—H⋯π(ring) , Hirshfeld surface analysis
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2021
Record number
2622104
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