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Crystal structure of the salt bis­(tri­ethano­lamine-κ(4) N,O,O′,O′′)cadmium bis[2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetate]

The reaction of 2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetic acid (NBTA) and tri­ethano­lamine (TEA) with Cd(CH(3)OO)(2) resulted in the formation of the title salt, [Cd(C(6)H(15)NO(3))(2)](C(9)H(6)NO(3)S)(2). In its crystal structure, the complex cation [Cd(TEA)(2)](2+) and two independent...

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Autor principal: Ashurov, Jamshid Mengnorovich
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910351/
https://www.ncbi.nlm.nih.gov/pubmed/27375881
http://dx.doi.org/10.1107/S2056989016004515
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author Ashurov, Jamshid Mengnorovich
author_facet Ashurov, Jamshid Mengnorovich
author_sort Ashurov, Jamshid Mengnorovich
collection PubMed
description The reaction of 2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetic acid (NBTA) and tri­ethano­lamine (TEA) with Cd(CH(3)OO)(2) resulted in the formation of the title salt, [Cd(C(6)H(15)NO(3))(2)](C(9)H(6)NO(3)S)(2). In its crystal structure, the complex cation [Cd(TEA)(2)](2+) and two independent NBTA(−) units with essentially similar geometries and conformations are present. In the complex cation, each TEA mol­ecule behaves as an N,O,O′,O′′-tetra­dentate ligand, giving rise to an eight-coordinate Cd(II) ion with a bicapped trigonal–prismatic configuration. All ethanol groups of each TEA mol­ecule form three five-membered chelate rings around the Cd(II) ion. The Cd—O and Cd—N distances are in the ranges 2.392 (2)–2.478 (2) and 2.465 (2)–2.475 (3) Å, respectively. O—H⋯O hydrogen bonds between the TEA hy­droxy groups and carboxyl­ate O atoms connect cationic and anionic moieties into chains parallel to [110]. Each NBTA(−) anion is additionally linked to a symmetry-related anion through π–π stacking inter­actions between the benzene and thia­zoline rings [minimum centroid-to-centroid separation = 3.604 (2) Å]. Together with additional C—H⋯O inter­actions, these establish a double-layer polymeric network parallel to (001).
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spelling pubmed-49103512016-07-01 Crystal structure of the salt bis­(tri­ethano­lamine-κ(4) N,O,O′,O′′)cadmium bis[2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetate] Ashurov, Jamshid Mengnorovich Acta Crystallogr E Crystallogr Commun Research Communications The reaction of 2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetic acid (NBTA) and tri­ethano­lamine (TEA) with Cd(CH(3)OO)(2) resulted in the formation of the title salt, [Cd(C(6)H(15)NO(3))(2)](C(9)H(6)NO(3)S)(2). In its crystal structure, the complex cation [Cd(TEA)(2)](2+) and two independent NBTA(−) units with essentially similar geometries and conformations are present. In the complex cation, each TEA mol­ecule behaves as an N,O,O′,O′′-tetra­dentate ligand, giving rise to an eight-coordinate Cd(II) ion with a bicapped trigonal–prismatic configuration. All ethanol groups of each TEA mol­ecule form three five-membered chelate rings around the Cd(II) ion. The Cd—O and Cd—N distances are in the ranges 2.392 (2)–2.478 (2) and 2.465 (2)–2.475 (3) Å, respectively. O—H⋯O hydrogen bonds between the TEA hy­droxy groups and carboxyl­ate O atoms connect cationic and anionic moieties into chains parallel to [110]. Each NBTA(−) anion is additionally linked to a symmetry-related anion through π–π stacking inter­actions between the benzene and thia­zoline rings [minimum centroid-to-centroid separation = 3.604 (2) Å]. Together with additional C—H⋯O inter­actions, these establish a double-layer polymeric network parallel to (001). International Union of Crystallography 2016-03-22 /pmc/articles/PMC4910351/ /pubmed/27375881 http://dx.doi.org/10.1107/S2056989016004515 Text en © Jamshid Mengnorovich Ashurov 2016 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
Ashurov, Jamshid Mengnorovich
Crystal structure of the salt bis­(tri­ethano­lamine-κ(4) N,O,O′,O′′)cadmium bis[2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetate]
title Crystal structure of the salt bis­(tri­ethano­lamine-κ(4) N,O,O′,O′′)cadmium bis[2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetate]
title_full Crystal structure of the salt bis­(tri­ethano­lamine-κ(4) N,O,O′,O′′)cadmium bis[2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetate]
title_fullStr Crystal structure of the salt bis­(tri­ethano­lamine-κ(4) N,O,O′,O′′)cadmium bis[2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetate]
title_full_unstemmed Crystal structure of the salt bis­(tri­ethano­lamine-κ(4) N,O,O′,O′′)cadmium bis[2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetate]
title_short Crystal structure of the salt bis­(tri­ethano­lamine-κ(4) N,O,O′,O′′)cadmium bis[2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetate]
title_sort crystal structure of the salt bis­(tri­ethano­lamine-κ(4) n,o,o′,o′′)cadmium bis[2-(2-oxo-2,3-di­hydro-1,3-benzo­thia­zol-3-yl)acetate]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4910351/
https://www.ncbi.nlm.nih.gov/pubmed/27375881
http://dx.doi.org/10.1107/S2056989016004515
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