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

Mohamed, Shaaban; Said, Awad; Mague, Joel; El-Emary, Talaat; AKKURT, MEHMET; Elgarhy, Sahar

doi:10.1107/s2056989021002358

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

Atıf İçin Kopyala

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

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

Yayın Türü: Makale / Tam Makale
Cilt numarası: 77
Basım Tarihi: 2021
Doi Numarası: 10.1107/s2056989021002358
Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
Sayfa Sayıları: ss.356-367
Erciyes Üniversitesi Adresli: Evet

Özet

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.