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Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2-chromen-4-yl penta-noate. | LitMetric

Synthesis, structure and Hirshfeld surface analysis of 2-oxo-2-chromen-4-yl penta-noate.

Acta Crystallogr E Crystallogr Commun

Department of Chemistry, Doctoral School of Sciences and Technology, University Joseph KI-ZERBO, Laboratory of Molecular Chemistry and Materials, Research Team: Organic Chemistry and Phytochemistry, 03 BP 7021 Ouagadougou 03, Burkina Faso.

Published: June 2024

AI Article Synopsis

Article Abstract

In the title compound, CHO, the dihedral angle between the coumarin ring system (r.m.s deviation = 0.016 Å) and the penta-noate ring is 36.26 (8)°. A short intra-molecular C-H⋯O contact of 2.40 Å is observed. Hirshfeld surface analysis reveals that 46.1% of the inter-molecular inter-actions are from H⋯H contacts, 28.6% are from H⋯O/O⋯H contacts and 14.7% are from H⋯C/C⋯H.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223708PMC
http://dx.doi.org/10.1107/S205698902400584XDOI Listing

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