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-hexa-hydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione

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Mohamed S. K., Said A., Mague J. T., El-Emary T., AKKURT M., Elgarhy S. M.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.77, pp.356-367, 2021 (ESCI)

• Publication Type: Article / Article
• Volume: 77
• Publication Date: 2021
• Doi Number: 10.1107/s2056989021002358
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.356-367
• Erciyes University Affiliated: Yes

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 center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds and C-H center dot center dot center dot pi(ring) interactions leads to the formation of layers parallel to the be plane. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H center dot center dot center dot H (44.3%), C center dot center dot center dot H/H center dot center dot center dot C (29.8%) and O center dot center dot center dot H/H center dot center dot center dot O (15.0%) contacts.