Crystal structure and Hirshfeld surface analysis of 4-bromo-6-phenyl-6,7-dihydro-5H-furo[2,3-f]-isoindol-5-one

The title molecule, C16H10BrNO2, is essentially planar (r.m.s. deviation = 0.004 Å). In the crystal, molecules are linked by C—H· · ·O and C—H· · ·Br hydrogen bonds, forming ribbons along the b-axis direction. Furthermore, π-π interactions cause the molecules to form ribbons along the [1 0 10] and [1 0 10] directions [centroid-to-centroid distances = 3.703 (3), 3.734 (3), 3.703 (3), and 3.734 (3) Å]. According to a Hirshfeld surface analysis, H· · ·H (33.8%), O· · ·H/ H· · ·O (15.1%), C· · ·H/H· · ·C (14.6%), Br· · ·H/H· · ·Br (13.8%), and C· · ·C (11.9%) interactions are the main contributors to the crystal packing. © 2025 International Union of Crystallography. All rights reserved.

Авторы
Alekseeva Kseniia A. 1 , Grigoriev Mikhail Semenovich 2 , Kolesnik Irina A. 3 , Murshudlu Narmin A. 4 , Hasanov Khudayar I. 5 , Nazarova Roya Z. 6 , Akkurt Mehmet 7 , Manahelohe Gizachew Mulugeta 8
Издательство
International Union of Crystallography
Номер выпуска
Pt 9
Язык
English
Страницы
844-848
Статус
Published
Том
81
Год
2025
Организации
  • 1 RUDN University, Moscow, Moscow Oblast, Russian Federation
  • 2 A.N. Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences, Moscow, Russian Federation
  • 3 Institute of Physical Organic Chemistry of the National Academy of Sciences of Belarus, Minsk, Minsk Oblast, Belarus
  • 4 Department of Chemistry, Sumgayit State University, Sumgait, Azerbaijan
  • 5 Azerbaijan Medical University, Baku, Azerbaijan
  • 6 Baku Engineering University, Absheron, Azerbaijan
  • 7 Department of Physics, Erciyes Üniversitesi, Kayseri, Kayseri, Turkey
  • 8 Department of Chemistry, University of Gondar, Gondar, Amhara, Ethiopia
Ключевые слова
crystal structure; Diels–Alder reaction; furo[2,3f]isoindole; Hirshfeld surface analysis; IMDAV reaction; isoindole
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