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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2016
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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). |
format | Online Article Text |
id | pubmed-4910351 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT ashurovjamshidmengnorovich crystalstructureofthesaltbistriethanolaminek4nooocadmiumbis22oxo23dihydro13benzothiazol3ylacetate |