title: Crystal structure of 2-oxo-2H-chromen-3-yl 4-chloro-benzoate and Hirshfeld surface analysis.
abstract: In the title compound, C16H9ClO4the dihedral angle between the coumarin ring system [maximum deviation = 0.023 (1) Å] and the benzene ring is 73.95 (8)°. In the crystal, π-π inter-actions link the dimers into a three-dimensional framework. A quantum chemical calculation is in generally good agreement with the observed structure, although the calculated dihedral angle between the ring systems (85.7%) is somewhat larger than the observed value [73.95 (8)°]. Hirshfeld surface analysis has been used to confirm and qu-antify the supra-molecular inter-actions.
authors.affiliation: Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université Félix Houphouët Boigny de Cocody 22 BP 582 Abidjan 22, Côte d'Ivoire.
authors.forename: Eric
authors.initials: E
authors.lastname: Ziki
authors.affiliation: Laboratoire de Chimie Moléculaire et Matériaux, Equipe de Chimie Organique et Phytochimie, Université Ouaga I Pr Joseph KI-ZERBO 03 BP 7021 Ouagadougou 03, Burkina Faso.
authors.forename: Siaka
authors.initials: S
authors.lastname: Sosso
authors.affiliation: Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université Félix Houphouët Boigny de Cocody 22 BP 582 Abidjan 22, Côte d'Ivoire.
authors.forename: Frédérica
authors.initials: F
authors.lastname: Mansilla-Koblavi
authors.affiliation: Laboratoire de Chimie Moléculaire et Matériaux, Equipe de Chimie Organique et Phytochimie, Université Ouaga I Pr Joseph KI-ZERBO 03 BP 7021 Ouagadougou 03, Burkina Faso.
authors.forename: Abdoulaye
authors.initials: A
authors.lastname: Djandé
authors.affiliation: Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université Félix Houphouët Boigny de Cocody 22 BP 582 Abidjan 22, Côte d'Ivoire.
authors.forename: Rita
authors.initials: R
authors.lastname: Kakou-Yao
keywords: Hirshfeld surface analysis; chromane; crystal structure; hydrogen bond; quantum-chemical calculations; π–π inter­actions