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A co-crystal of nona­hydrated disodium(II) with mixed anions from m-chloro­benzoic acid and furosemide

In the title compound, [Na(2)(H(2)O)(9)](C(7)H(4)ClO(2))(C(12)H(10)ClN(2)O(5)S) {systematic name: catena-poly[[[triaquasodium(I)]-di-μ-aqua-[triaquasodium(I)]-μ-aqua] 3-chlorobenzoate 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoate]}, both the original m-chloro­benzoic acid and furosemide e...

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Autores principales: London, Bianca King, Claville, Michelle O. Fletcher, Babu, Sainath, Fronczek, Frank R., Uppu, Rao M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647361/
https://www.ncbi.nlm.nih.gov/pubmed/26594422
http://dx.doi.org/10.1107/S2056989015017430
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author London, Bianca King
Claville, Michelle O. Fletcher
Babu, Sainath
Fronczek, Frank R.
Uppu, Rao M.
author_facet London, Bianca King
Claville, Michelle O. Fletcher
Babu, Sainath
Fronczek, Frank R.
Uppu, Rao M.
author_sort London, Bianca King
collection PubMed
description In the title compound, [Na(2)(H(2)O)(9)](C(7)H(4)ClO(2))(C(12)H(10)ClN(2)O(5)S) {systematic name: catena-poly[[[triaquasodium(I)]-di-μ-aqua-[triaquasodium(I)]-μ-aqua] 3-chlorobenzoate 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoate]}, both the original m-chloro­benzoic acid and furosemide exist with deprotonated carboxyl­ates, and the sodium cations and water mol­ecules exist in chains with stoichiometry [Na(2)(OH(2))(9)](2+) that propagate in the [-110] direction. Each of the two independent Na(+) ions is coordinated by three monodentate water mol­ecules, two double-water bridges, and one single-water bridge. There is considerable cross-linking between the [Na(2)(OH(2))(9)](2+) chains and to furosemide sulfonamide and carboxyl­ate by inter­molecular O—H⋯O hydrogen bonds. All hydrogen-bond donors participate in a complex two-dimensional array parallel to the ab plane. The furosemide NH group donates an intra­molecular hydrogen bond to the carboxyl­ate group, and the furosemide NH(2) group donates an intra­molecular hydrogen bond to the Cl atom and an inter­molecular one to the m-chloro­benzoate O atom. The plethora of hydrogen-bond donors on the cation/water chain leads to many large rings, up to graph set R (4) (4)(24), involving two chains and two furosemide anions. The chloro­benzoate is involved in only one R (2) (2)(8) ring, with two water mol­ecules cis-coordinated to Na. The furan O atom is not hydrogen bonded.
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spelling pubmed-46473612015-11-20 A co-crystal of nona­hydrated disodium(II) with mixed anions from m-chloro­benzoic acid and furosemide London, Bianca King Claville, Michelle O. Fletcher Babu, Sainath Fronczek, Frank R. Uppu, Rao M. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, [Na(2)(H(2)O)(9)](C(7)H(4)ClO(2))(C(12)H(10)ClN(2)O(5)S) {systematic name: catena-poly[[[triaquasodium(I)]-di-μ-aqua-[triaquasodium(I)]-μ-aqua] 3-chlorobenzoate 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoate]}, both the original m-chloro­benzoic acid and furosemide exist with deprotonated carboxyl­ates, and the sodium cations and water mol­ecules exist in chains with stoichiometry [Na(2)(OH(2))(9)](2+) that propagate in the [-110] direction. Each of the two independent Na(+) ions is coordinated by three monodentate water mol­ecules, two double-water bridges, and one single-water bridge. There is considerable cross-linking between the [Na(2)(OH(2))(9)](2+) chains and to furosemide sulfonamide and carboxyl­ate by inter­molecular O—H⋯O hydrogen bonds. All hydrogen-bond donors participate in a complex two-dimensional array parallel to the ab plane. The furosemide NH group donates an intra­molecular hydrogen bond to the carboxyl­ate group, and the furosemide NH(2) group donates an intra­molecular hydrogen bond to the Cl atom and an inter­molecular one to the m-chloro­benzoate O atom. The plethora of hydrogen-bond donors on the cation/water chain leads to many large rings, up to graph set R (4) (4)(24), involving two chains and two furosemide anions. The chloro­benzoate is involved in only one R (2) (2)(8) ring, with two water mol­ecules cis-coordinated to Na. The furan O atom is not hydrogen bonded. International Union of Crystallography 2015-09-30 /pmc/articles/PMC4647361/ /pubmed/26594422 http://dx.doi.org/10.1107/S2056989015017430 Text en © London et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
London, Bianca King
Claville, Michelle O. Fletcher
Babu, Sainath
Fronczek, Frank R.
Uppu, Rao M.
A co-crystal of nona­hydrated disodium(II) with mixed anions from m-chloro­benzoic acid and furosemide
title A co-crystal of nona­hydrated disodium(II) with mixed anions from m-chloro­benzoic acid and furosemide
title_full A co-crystal of nona­hydrated disodium(II) with mixed anions from m-chloro­benzoic acid and furosemide
title_fullStr A co-crystal of nona­hydrated disodium(II) with mixed anions from m-chloro­benzoic acid and furosemide
title_full_unstemmed A co-crystal of nona­hydrated disodium(II) with mixed anions from m-chloro­benzoic acid and furosemide
title_short A co-crystal of nona­hydrated disodium(II) with mixed anions from m-chloro­benzoic acid and furosemide
title_sort co-crystal of nona­hydrated disodium(ii) with mixed anions from m-chloro­benzoic acid and furosemide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647361/
https://www.ncbi.nlm.nih.gov/pubmed/26594422
http://dx.doi.org/10.1107/S2056989015017430
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