2-Oxo-2H-chromen-7-yl 4-methylbenzoate

In the title compound, C17H12O4, the benzoate ring is oriented at an acute angle of 60.14 (13)° relative to the coumarin plane (r.m.s. deviation = 0.006 Å). This conformation is stabilized by an intramolecular C—H...O weak hydrogen bond, which forms a five-membered ring. Also present are π–π stackin...

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Main Authors:	Abdoulaye Djandé, Akoun Abou, Félix Kini, Konan René Kambo, Michel Giorgi
Format:	Article
Language:	English
Published:	International Union of Crystallography 2018-07-01
Series:	IUCrData
Subjects:	crystal structure C—H...O hydrogen bond coumarin Hirshfeld surface analysis
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2414314618009276

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spelling	doaj-86185900ff4243c5be9d798c66a612a52020-11-25T02:35:41ZengInternational Union of CrystallographyIUCrData2414-31462018-07-0137x18092710.1107/S2414314618009276bh40382-Oxo-2H-chromen-7-yl 4-methylbenzoateAbdoulaye Djandé0Akoun Abou1Félix Kini2Konan René Kambo3Michel Giorgi4Laboratoire de Chimie Moléculaire et de Matériaux (LCMM), Equipe de Chimie Organique et de Phytochimie, Université Ouaga I Pr Joseph KI-ZERBO, 03 BP 7021 Ouagadougou 03, Burkina FasoUnité Mixte de Recherche et d'Innovation en Electronique et d'Electricité Appliqueés (UMRI EEA), Equipe de Recherche Instrumentation Image et Spectroscopie (L2IS) DFR–GEE, Institut National Polytechnique Félix Houphouët-Boigny (INPHB), BP 1093 Yamoussoukro, Côte D'IvoireLaboratoire de Chimie Moléculaire et de Matériaux (LCMM), Equipe de Chimie Organique et de Phytochimie, Université Ouaga I Pr Joseph KI-ZERBO, 03 BP 7021 Ouagadougou 03, Burkina FasoLaboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université Félix Houphouët-Boigny de Cocody, 22 BP 582, Abidjan 22, Côte d'IvoireFédération des Sciences Chimiques de Marseille, Spectropôle Service D11, Campus St. Jérôme, Aix-Marseille Université, Avenue Escadrille Normandie Niemen, 13013 Marseille, FranceIn the title compound, C17H12O4, the benzoate ring is oriented at an acute angle of 60.14 (13)° relative to the coumarin plane (r.m.s. deviation = 0.006 Å). This conformation is stabilized by an intramolecular C—H...O weak hydrogen bond, which forms a five-membered ring. Also present are π–π stacking interactions between neighbouring pyrone and benzene rings [centroid-to-centroid distances in the range 3.6286 (1)–3.6459 (1) Å] and C=O...π interactions [O...centroid distances in the range 3.2938 (1)–3.6132 (1) Å]. Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions.http://scripts.iucr.org/cgi-bin/paper?S2414314618009276crystal structureC—H...O hydrogen bondcoumarinHirshfeld surface analysis
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Abdoulaye Djandé Akoun Abou Félix Kini Konan René Kambo Michel Giorgi
spellingShingle	Abdoulaye Djandé Akoun Abou Félix Kini Konan René Kambo Michel Giorgi 2-Oxo-2H-chromen-7-yl 4-methylbenzoate IUCrData crystal structure C—H...O hydrogen bond coumarin Hirshfeld surface analysis
author_facet	Abdoulaye Djandé Akoun Abou Félix Kini Konan René Kambo Michel Giorgi
author_sort	Abdoulaye Djandé
title	2-Oxo-2H-chromen-7-yl 4-methylbenzoate
title_short	2-Oxo-2H-chromen-7-yl 4-methylbenzoate
title_full	2-Oxo-2H-chromen-7-yl 4-methylbenzoate
title_fullStr	2-Oxo-2H-chromen-7-yl 4-methylbenzoate
title_full_unstemmed	2-Oxo-2H-chromen-7-yl 4-methylbenzoate
title_sort	2-oxo-2h-chromen-7-yl 4-methylbenzoate
publisher	International Union of Crystallography
series	IUCrData
issn	2414-3146
publishDate	2018-07-01
description	In the title compound, C17H12O4, the benzoate ring is oriented at an acute angle of 60.14 (13)° relative to the coumarin plane (r.m.s. deviation = 0.006 Å). This conformation is stabilized by an intramolecular C—H...O weak hydrogen bond, which forms a five-membered ring. Also present are π–π stacking interactions between neighbouring pyrone and benzene rings [centroid-to-centroid distances in the range 3.6286 (1)–3.6459 (1) Å] and C=O...π interactions [O...centroid distances in the range 3.2938 (1)–3.6132 (1) Å]. Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions.
topic	crystal structure C—H...O hydrogen bond coumarin Hirshfeld surface analysis
url	http://scripts.iucr.org/cgi-bin/paper?S2414314618009276
work_keys_str_mv	AT abdoulayedjande 2oxo2hchromen7yl4methylbenzoate AT akounabou 2oxo2hchromen7yl4methylbenzoate AT felixkini 2oxo2hchromen7yl4methylbenzoate AT konanrenekambo 2oxo2hchromen7yl4methylbenzoate AT michelgiorgi 2oxo2hchromen7yl4methylbenzoate
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2-Oxo-2H-chromen-7-yl 4-methylbenzoate

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