Crystal structure and Hirshfeld surface analysis of 2-benzyl-4,5-dibromo-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1H-isoindol-1-one

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Atıf İçin Kopyala

Mertsalov D. F., Zaytsev V. P., Pokazeev K. M., Grigoriev M. S., Bachinsky A., TÜRKTEKİN ÇELİKESİR S., ...Daha Fazla

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.77, ss.255-267, 2021 (ESCI)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 77
• Basım Tarihi: 2021
• Doi Numarası: 10.1107/s2056989021001481
• Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
• Sayfa Sayıları: ss.255-267
• Erciyes Üniversitesi Adresli: Evet

Özet

The title compound, C15H15Br2NO2, crystallizes with two molecules in the asymmetric unit of the unit cell. In both molecules, the tetrahydrofuran rings adopt an envelope conformation with the O atom as the flap and the pyrrolidine rings adopt an envelope conformation. In the crystal, molecules are linked by weak C-H center dot center dot center dot O hydrogen bonds, forming sheets lying parallel to the (002) plane. These sheets are connected only by weak van der Waals interactions. The most important contributions to the surface contacts are from H center dot center dot center dot H (44.6%), Br center dot center dot center dot H/H center dot center dot center dot Br (24.1%), O center dot center dot center dot H/H center dot center dot center dot O (13.5%) and C center dot center dot center dot H/H center dot center dot center dot C (11.2%) interactions, as concluded from a Hirshfeld surface analysis.