HYDROGEN-BONDED SUPRAMOLECULAR ARRAY IN THE CRYSTAL STRUCTURE OF ETHYL 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE MONOHYDRATE

The crystal structure of ethyl 7-hydroxy-2-oxo-2H-chromene-3-carboxylate monohydrate (1), C12H10O5.H2O, was established by X-ray crystallographic analysis. The molecule of the title compound is essentially planar except for the carboxylate substituent group. The crystal packing supramolecular array...

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Autores principales:	GALDÁMEZ,ANTONIO, GARCÍA-BELTRÁN,OLIMPO, CASSELS,BRUCE K
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2011
Materias:	Crystal structure Coumarins X-ray diffraction
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072011000100005
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spelling	oai:scielo:S0717-970720110001000052011-06-17HYDROGEN-BONDED SUPRAMOLECULAR ARRAY IN THE CRYSTAL STRUCTURE OF ETHYL 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE MONOHYDRATEGALDÁMEZ,ANTONIOGARCÍA-BELTRÁN,OLIMPOCASSELS,BRUCE K Crystal structure Coumarins X-ray diffraction The crystal structure of ethyl 7-hydroxy-2-oxo-2H-chromene-3-carboxylate monohydrate (1), C12H10O5.H2O, was established by X-ray crystallographic analysis. The molecule of the title compound is essentially planar except for the carboxylate substituent group. The crystal packing supramolecular array arises from hydrogen bonds and intermolecular C-H - O=C contacts of the organic molecules and solvent water molecules, with graph-set descriptor R²4 (8), R²1 (6), R(4)4 ( 20) and C (5) motifs. The water molecules are involved as donors and acceptors. The hydrogen bond and intermolecular interaction network is reinforced by stacking of the sheet through p-p interactions.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.56 n.1 20112011-01-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072011000100005en10.4067/S0717-97072011000100005
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	Crystal structure Coumarins X-ray diffraction
spellingShingle	Crystal structure Coumarins X-ray diffraction GALDÁMEZ,ANTONIO GARCÍA-BELTRÁN,OLIMPO CASSELS,BRUCE K HYDROGEN-BONDED SUPRAMOLECULAR ARRAY IN THE CRYSTAL STRUCTURE OF ETHYL 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE MONOHYDRATE
description	The crystal structure of ethyl 7-hydroxy-2-oxo-2H-chromene-3-carboxylate monohydrate (1), C12H10O5.H2O, was established by X-ray crystallographic analysis. The molecule of the title compound is essentially planar except for the carboxylate substituent group. The crystal packing supramolecular array arises from hydrogen bonds and intermolecular C-H - O=C contacts of the organic molecules and solvent water molecules, with graph-set descriptor R²4 (8), R²1 (6), R(4)4 ( 20) and C (5) motifs. The water molecules are involved as donors and acceptors. The hydrogen bond and intermolecular interaction network is reinforced by stacking of the sheet through p-p interactions.
author	GALDÁMEZ,ANTONIO GARCÍA-BELTRÁN,OLIMPO CASSELS,BRUCE K
author_facet	GALDÁMEZ,ANTONIO GARCÍA-BELTRÁN,OLIMPO CASSELS,BRUCE K
author_sort	GALDÁMEZ,ANTONIO
title	HYDROGEN-BONDED SUPRAMOLECULAR ARRAY IN THE CRYSTAL STRUCTURE OF ETHYL 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE MONOHYDRATE
title_short	HYDROGEN-BONDED SUPRAMOLECULAR ARRAY IN THE CRYSTAL STRUCTURE OF ETHYL 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE MONOHYDRATE
title_full	HYDROGEN-BONDED SUPRAMOLECULAR ARRAY IN THE CRYSTAL STRUCTURE OF ETHYL 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE MONOHYDRATE
title_fullStr	HYDROGEN-BONDED SUPRAMOLECULAR ARRAY IN THE CRYSTAL STRUCTURE OF ETHYL 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE MONOHYDRATE
title_full_unstemmed	HYDROGEN-BONDED SUPRAMOLECULAR ARRAY IN THE CRYSTAL STRUCTURE OF ETHYL 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE MONOHYDRATE
title_sort	hydrogen-bonded supramolecular array in the crystal structure of ethyl 7-hydroxy-2-oxo-2h-chromene-3-carboxylate monohydrate
publisher	Sociedad Chilena de Química
publishDate	2011
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072011000100005
work_keys_str_mv	AT galdamezantonio hydrogenbondedsupramoleculararrayinthecrystalstructureofethyl7hydroxy2oxo2hchromene3carboxylatemonohydrate AT garciabeltranolimpo hydrogenbondedsupramoleculararrayinthecrystalstructureofethyl7hydroxy2oxo2hchromene3carboxylatemonohydrate AT casselsbrucek hydrogenbondedsupramoleculararrayinthecrystalstructureofethyl7hydroxy2oxo2hchromene3carboxylatemonohydrate
_version_	1718445441012465664

HYDROGEN-BONDED SUPRAMOLECULAR ARRAY IN THE CRYSTAL STRUCTURE OF ETHYL 7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLATE MONOHYDRATE

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