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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4647361 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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