Synthesis and structure of 2-oxo-2H-chromen-4-yl 4-bromobenzoate: work carried out as part of the CNRS AFRAMED project

Synthesis and structure of 2-oxo-2H-chromen-4-yl 4-bromobenzoate: work carried out as part of the CNRS AFRAMED project

In the title compound, C16H9BrO4, the dihedral angle between the chromen-2-one ring system (r.m.s. deviation = 0.006 Å) and the bromobenzene ring is 10.29 (6)°. In the crystal, the molecules are connected through C—H...O hydrogen bonds and π–π stacking interactions. According to a Hirshfeld surface...

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Bibliographic Details
Main Authors: Valentin Bationo, Konan René Kambo, Brahima Sorgho, Charles Bavouma Sombié, El Walda Thiam, Rasmané Semdé, Abdoulaye Djandé, Claude Lecomte, Emmanuel Wenger
Format: Article
Language:English
Published: International Union of Crystallography 2025-03-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
hydrogen bonds
hirshfeld surface analysis
coumarin
Online Access:https://journals.iucr.org/paper?S2056989025000246
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Summary:In the title compound, C16H9BrO4, the dihedral angle between the chromen-2-one ring system (r.m.s. deviation = 0.006 Å) and the bromobenzene ring is 10.29 (6)°. In the crystal, the molecules are connected through C—H...O hydrogen bonds and π–π stacking interactions. According to a Hirshfeld surface analysis, H...H (22.4%), O...H/H...O (23.6%) and C...H/H...C (21%) interactions are the most significant contributors to the crystal packing.
ISSN:2056-9890

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