SYNTHESIS, CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF A NEW COORDINATION POLYMER: STRONTIUM BENZILATE

ABSTRACT A novel coordination polymer was synthesized from strontium carbonate and benzylic acid in aqueous solution and is formulated as Sr[(C6H5)4(COCOO)2·2H2O]. This compound was characterized by FTIR spectroscopy and powder X-ray diffraction. The crystal structure was determined by single-crysta...

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Autores principales:	Delgado,Gerzon E., Mora,Asiloé J., Ramírez,Belkis, Delgado,Graciela Díaz de, Cisterna,Jonathan, Cárdenas,Alejandro, Brito,Iván
Lenguaje:	English
Publicado:	Sociedad Chilena de Química 2021
Materias:	Benzilate coordination polymer X-ray diffraction hydrogen bonds Hirshfeld surface
Acceso en línea:	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072021000105081
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spelling	oai:scielo:S0717-970720210001050812021-04-22SYNTHESIS, CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF A NEW COORDINATION POLYMER: STRONTIUM BENZILATEDelgado,Gerzon E.Mora,Asiloé J.Ramírez,BelkisDelgado,Graciela Díaz deCisterna,JonathanCárdenas,AlejandroBrito,Iván Benzilate coordination polymer X-ray diffraction hydrogen bonds Hirshfeld surface ABSTRACT A novel coordination polymer was synthesized from strontium carbonate and benzylic acid in aqueous solution and is formulated as Sr[(C6H5)4(COCOO)2·2H2O]. This compound was characterized by FTIR spectroscopy and powder X-ray diffraction. The crystal structure was determined by single-crystal X-ray diffraction. The complex crystallizes in the monoclinic P21/n space group, with unit cell parameters a = 15.0224(9) Å, b = 7.5038(6) Å, c = 25.000(2) Å, β = 94.764(2)°, V = 2808.4 Å3, Z = 4. In the structure, the metallic ion is coordinated to eight oxygen atoms, six from benzilate molecules, and two from water molecules, forming a distorted tetragonal antiprism. One of the benzilates is coordinated to the metal in a monodentate fashion (carboxylate only), while the other benzilate molecule does it in the bidentate from carboxylate and hydroxide. Strontium ions form infinite zig-zag chains along the [010] direction, which form a three-dimensional network via O--H···O hydrogen-bond interactions between the coordinated water molecules and the O atoms of the carboxylate groups. The intermolecular interactions were analyzed using Hirshfeld surface analysis.info:eu-repo/semantics/openAccessSociedad Chilena de QuímicaJournal of the Chilean Chemical Society v.66 n.1 20212021-01-01text/htmlhttp://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072021000105081en10.4067/S0717-97072021000105081
institution	Scielo Chile
collection	Scielo Chile
language	English
topic	Benzilate coordination polymer X-ray diffraction hydrogen bonds Hirshfeld surface
spellingShingle	Benzilate coordination polymer X-ray diffraction hydrogen bonds Hirshfeld surface Delgado,Gerzon E. Mora,Asiloé J. Ramírez,Belkis Delgado,Graciela Díaz de Cisterna,Jonathan Cárdenas,Alejandro Brito,Iván SYNTHESIS, CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF A NEW COORDINATION POLYMER: STRONTIUM BENZILATE
description	ABSTRACT A novel coordination polymer was synthesized from strontium carbonate and benzylic acid in aqueous solution and is formulated as Sr[(C6H5)4(COCOO)2·2H2O]. This compound was characterized by FTIR spectroscopy and powder X-ray diffraction. The crystal structure was determined by single-crystal X-ray diffraction. The complex crystallizes in the monoclinic P21/n space group, with unit cell parameters a = 15.0224(9) Å, b = 7.5038(6) Å, c = 25.000(2) Å, β = 94.764(2)°, V = 2808.4 Å3, Z = 4. In the structure, the metallic ion is coordinated to eight oxygen atoms, six from benzilate molecules, and two from water molecules, forming a distorted tetragonal antiprism. One of the benzilates is coordinated to the metal in a monodentate fashion (carboxylate only), while the other benzilate molecule does it in the bidentate from carboxylate and hydroxide. Strontium ions form infinite zig-zag chains along the [010] direction, which form a three-dimensional network via O--H···O hydrogen-bond interactions between the coordinated water molecules and the O atoms of the carboxylate groups. The intermolecular interactions were analyzed using Hirshfeld surface analysis.
author	Delgado,Gerzon E. Mora,Asiloé J. Ramírez,Belkis Delgado,Graciela Díaz de Cisterna,Jonathan Cárdenas,Alejandro Brito,Iván
author_facet	Delgado,Gerzon E. Mora,Asiloé J. Ramírez,Belkis Delgado,Graciela Díaz de Cisterna,Jonathan Cárdenas,Alejandro Brito,Iván
author_sort	Delgado,Gerzon E.
title	SYNTHESIS, CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF A NEW COORDINATION POLYMER: STRONTIUM BENZILATE
title_short	SYNTHESIS, CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF A NEW COORDINATION POLYMER: STRONTIUM BENZILATE
title_full	SYNTHESIS, CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF A NEW COORDINATION POLYMER: STRONTIUM BENZILATE
title_fullStr	SYNTHESIS, CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF A NEW COORDINATION POLYMER: STRONTIUM BENZILATE
title_full_unstemmed	SYNTHESIS, CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF A NEW COORDINATION POLYMER: STRONTIUM BENZILATE
title_sort	synthesis, crystal structure and hirshfeld surface analysis of a new coordination polymer: strontium benzilate
publisher	Sociedad Chilena de Química
publishDate	2021
url	http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072021000105081
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SYNTHESIS, CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF A NEW COORDINATION POLYMER: STRONTIUM BENZILATE

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