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Crystal structure of trans-bis[2-(1H-benzotriazol-1-yl)acetato-κO]bis(ethanolamine-κ(2) N,O)copper(II)
The reaction of 2-(1H-benzotriazol-1-yl)acetic acid (HBTA; C(8)H(7)N(3)O(2)) and monoethanolamine (MEA; C(2)H(7)NO) with CuCl(2)·2H(2)O resulted in the formation of the title complex, [Cu(C(8)H(6)N(3)O(2))(2)(C(2)H(7)NO)(2)] or [Cu(BTA)(2)(MEA)(2)]. Its asymmetric unit comprises one BTA anion coor...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362665/ https://www.ncbi.nlm.nih.gov/pubmed/30800457 http://dx.doi.org/10.1107/S2056989019000744 |
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author | Alieva, Guloy K. Ashurov, Jamshid M. Kadirova, Shahnoza A. Ibragimov, Bakhtiyar T. Zakhidov, Kasim A. |
author_facet | Alieva, Guloy K. Ashurov, Jamshid M. Kadirova, Shahnoza A. Ibragimov, Bakhtiyar T. Zakhidov, Kasim A. |
author_sort | Alieva, Guloy K. |
collection | PubMed |
description | The reaction of 2-(1H-benzotriazol-1-yl)acetic acid (HBTA; C(8)H(7)N(3)O(2)) and monoethanolamine (MEA; C(2)H(7)NO) with CuCl(2)·2H(2)O resulted in the formation of the title complex, [Cu(C(8)H(6)N(3)O(2))(2)(C(2)H(7)NO)(2)] or [Cu(BTA)(2)(MEA)(2)]. Its asymmetric unit comprises one BTA anion coordinating to the Cu(2+) cation (site symmetry [Image: see text]) through the carboxyl O atom, and one MEA ligand chelating the metal cation by two heteroatoms (O and N). The equatorial Cu—O and Cu—N bond lengths are similar at 2.029 (1) and 1.980 (2) Å, respectively, while the length of the axial Cu—O bond is considerably greater [2.492 (2) Å], as is typical for Jahn–Teller-distorted systems. An intramolecular hydrogen bond is present between the hydroxy group of the MEA ligand and the non-coordinating O atom of the carboxylate group. Intermolecular hydrogen bonding involving the amino function of the MEA ligand and the carboxylate group results in eight-membered rings with an R (2) (2)(8) graph-set motif. The molecules are further linked by C—H⋯π interactions involving the triazole rings and methylene groups of MEA, thus generating an overall three-dimensional supramolecular framework. |
format | Online Article Text |
id | pubmed-6362665 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-63626652019-02-22 Crystal structure of trans-bis[2-(1H-benzotriazol-1-yl)acetato-κO]bis(ethanolamine-κ(2) N,O)copper(II) Alieva, Guloy K. Ashurov, Jamshid M. Kadirova, Shahnoza A. Ibragimov, Bakhtiyar T. Zakhidov, Kasim A. Acta Crystallogr E Crystallogr Commun Research Communications The reaction of 2-(1H-benzotriazol-1-yl)acetic acid (HBTA; C(8)H(7)N(3)O(2)) and monoethanolamine (MEA; C(2)H(7)NO) with CuCl(2)·2H(2)O resulted in the formation of the title complex, [Cu(C(8)H(6)N(3)O(2))(2)(C(2)H(7)NO)(2)] or [Cu(BTA)(2)(MEA)(2)]. Its asymmetric unit comprises one BTA anion coordinating to the Cu(2+) cation (site symmetry [Image: see text]) through the carboxyl O atom, and one MEA ligand chelating the metal cation by two heteroatoms (O and N). The equatorial Cu—O and Cu—N bond lengths are similar at 2.029 (1) and 1.980 (2) Å, respectively, while the length of the axial Cu—O bond is considerably greater [2.492 (2) Å], as is typical for Jahn–Teller-distorted systems. An intramolecular hydrogen bond is present between the hydroxy group of the MEA ligand and the non-coordinating O atom of the carboxylate group. Intermolecular hydrogen bonding involving the amino function of the MEA ligand and the carboxylate group results in eight-membered rings with an R (2) (2)(8) graph-set motif. The molecules are further linked by C—H⋯π interactions involving the triazole rings and methylene groups of MEA, thus generating an overall three-dimensional supramolecular framework. International Union of Crystallography 2019-01-18 /pmc/articles/PMC6362665/ /pubmed/30800457 http://dx.doi.org/10.1107/S2056989019000744 Text en © Alieva et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Alieva, Guloy K. Ashurov, Jamshid M. Kadirova, Shahnoza A. Ibragimov, Bakhtiyar T. Zakhidov, Kasim A. Crystal structure of trans-bis[2-(1H-benzotriazol-1-yl)acetato-κO]bis(ethanolamine-κ(2) N,O)copper(II) |
title | Crystal structure of trans-bis[2-(1H-benzotriazol-1-yl)acetato-κO]bis(ethanolamine-κ(2)
N,O)copper(II) |
title_full | Crystal structure of trans-bis[2-(1H-benzotriazol-1-yl)acetato-κO]bis(ethanolamine-κ(2)
N,O)copper(II) |
title_fullStr | Crystal structure of trans-bis[2-(1H-benzotriazol-1-yl)acetato-κO]bis(ethanolamine-κ(2)
N,O)copper(II) |
title_full_unstemmed | Crystal structure of trans-bis[2-(1H-benzotriazol-1-yl)acetato-κO]bis(ethanolamine-κ(2)
N,O)copper(II) |
title_short | Crystal structure of trans-bis[2-(1H-benzotriazol-1-yl)acetato-κO]bis(ethanolamine-κ(2)
N,O)copper(II) |
title_sort | crystal structure of trans-bis[2-(1h-benzotriazol-1-yl)acetato-κo]bis(ethanolamine-κ(2)
n,o)copper(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362665/ https://www.ncbi.nlm.nih.gov/pubmed/30800457 http://dx.doi.org/10.1107/S2056989019000744 |
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