دورية أكاديمية

Crystal structure and Hirshfeld surface analysis of (3S,3aR,6aS)-3-(1,3-di-phenyl-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.

التفاصيل البيبلوغرافية
العنوان: Crystal structure and Hirshfeld surface analysis of (3S,3aR,6aS)-3-(1,3-di-phenyl-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.
المؤلفون: Mohamed, Shaaban K., Said, Awad I., Mague, Joel T., El-Emary, Talaat I., Akkurt, Mehmet, Elgarhy, Sahar M. I.
المصدر: Acta Crystallographica Section E: Crystallographic Communications; Apr2021, Vol. 77 Issue 4, p356-359, 12p
مصطلحات موضوعية: SURFACE analysis, SURFACE structure, CRYSTAL structure, HYDROGEN bonding, ATOMS, CRYSTALS
مستخلص: 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. [ABSTRACT FROM AUTHOR]
Copyright of Acta Crystallographica Section E: Crystallographic Communications is the property of International Union of Crystallography - IUCr and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
قاعدة البيانات: Complementary Index
الوصف
تدمد:20569890
DOI:10.1107/S2056989021002358