Crystal structure and Hirshfeld surface analysis of 4-bromo-6-phenyl-6,7-dihydro-5H-furo[2,3-f]isoindol-5-one
Year: 2025
Type: article
Abstract: 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 \overline{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.
Institutions: Peoples' Friendship University of Russia, Russian Academy of Sciences, Frumkin Institute of Physical Chemistry and Electrochemistry Russian Academy of Sciences, National Academy of Sciences of Belarus, Sumgayit State University, Azerbaijan Medical University, Baku Engineering University, Erciyes University, University of Gondar
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $500
Awards: G213334419, G6412845564
OpenAlex ID: W4413348391