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

The molecule of the title compound, C16H9BrClNO2, contains furan and phenyl rings and an isoindole ring system. The phenyl ring subtends a dihedral angle of 10.3(2)° with the fused ring system. In the crystal, C - H⋯O hydrogen bonds link the molecules into a two-dimensional network nearly parallel to the ab plane, enclosing R22(6), R44(12), R44(14), R44(18) and R44(20) ring motifs. π-π stacking between the centroids of parallel rings [centroid-centroid distances = 3.919(3)-3.695(3)Å] helps to consolidate the packing. Hirshfeld surface analysis revealed that the most important contributions for the crystal packing are from H⋯H (21.2%), H⋯Cl/Cl⋯H (14.7%), H⋯O/O⋯H (13.9%), H⋯C/C⋯H (13.1%), H⋯Br/Br⋯H (12.3%) and C⋯C (11.6%) interactions. © 2025 International Union of Crystallography. All rights reserved.

Авторы
Alekseeva Kseniia A. 1 , Gurbanov Atash V. 2 , Grigoriev Mikhail Semenovich 3 , Sorokina Elena A. 1 , Kolesnik Irina A. 4 , Al-Douh Mohammed Hadi 5 , Hökelek Tuncer 6 , Hasanov Khudayar I. 7
Издательство
International Union of Crystallography
Язык
English
Страницы
996-999
Статус
Published
Том
81
Год
2025
Организации
  • 1 RUDN University, Moscow, Moscow Oblast, Russian Federation
  • 2 Excellence Center, Baku State University, Baku, Azerbaijan
  • 3 A.N. Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences, Moscow, Russian Federation
  • 4 Institute of Physical Organic Chemistry of the National Academy of Sciences of Belarus, Minsk, Minsk Oblast, Belarus
  • 5 Department of Chemistry, Hadhramout University of Science and Technology, Mukalla, Yemen
  • 6 Department of Physics, Hacettepe Üniversitesi, Ankara, Turkey
  • 7 Azerbaijan Medical University, Baku, Azerbaijan
Ключевые слова
crystal structure; IMDAV furo[2,3-f] isoindole.; isoindole; non-covalent interactions
Цитировать
Поделиться

Другие записи