Crystal structure and Hirshfeld surface analysis of 6-bromo-2-(pentafluorophenyl)-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6 H )-one

Crystal structure and Hirshfeld surface analysis of 6-bromo-2-(pentafluorophenyl)-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6 H )-one Full article

Journal

Acta Crystallographica Section E: Crystallographic Communications
ISSN: 2056-9890

Output data

Year: 2026, Volume: 82, Number: 9, Pages: 1052-1056 Pages count : 5 DOI: 10.1107/s2056989026008108

Authors

Maslova Viktoria S. ¹ , Cherepanova Veronika M. ¹ , Khrustalev Victor N. ^1,2 , Akkurt Mehmet ³ , Manahelohe Gizachew Mulugeta ⁴ , Hasanov Khudayar I. ⁵ , Guliyeva Narmina A. ⁶

Affiliations

1	RUDN University, 6 Miklukho-Maklaya St., Moscow 117198, Russian Federation
2	Zelinsky Institute of Organic Chemistry of RAS, Leninsky Prospect 47, Moscow 119991, Russian Federation
3	Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Türkiye
4	Department of Chemistry, University of Gondar, PO Box 196, Gondar, Ethiopia
5	Azerbaijan Medical University, Scientific Research Centre (SRC), A. Kasumzade St. 14, AZ 1022, Baku, Azerbaijan
6	Department of Chemical Engineering, Baku Engineering University, Hasan Aliyev str. 120, AZ0101, Khirdalan, Absheron, Azerbaijan

In the crystal, enantiomeric molecules of C14H7BrF5NO2 are linked by C—H⋯O hydrogen bonds, forming layers parallel to the (101) plane. In addition, C—H⋯π interactions and Br⋯π contacts create layers parallel to the (101) plane. According to Hirshfeld surface analysis, the most important contributions to the crystal packing are F⋯H / H⋯F (32.4%), O⋯H / H⋯O (12.4%), F⋯F (11.5%), Br⋯F / F⋯Br (8.4%) and C⋯H / H⋯C (8.4%) interactions.

Maslova V.S. , Cherepanova V.M. , Khrustalev V.N. , Akkurt M. , Manahelohe G.M. , Hasanov K.I. , Guliyeva N.A.
Crystal structure and Hirshfeld surface analysis of 6-bromo-2-(pentafluorophenyl)-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6 H )-one
Acta Crystallographica Section E: Crystallographic Communications. 2026. V.82. N9. P.1052-1056. DOI: 10.1107/s2056989026008108 OpenAlex

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