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Crystal structure of trans-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)copper(II) pamoate
The asymmetric unit of the title compound, trans-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane-κ(4) N (1),N (5),N (8),N (12))copper(II) 4,4′-methylenebis(3-hydroxynaphthalene-2-carboxylate), [Cu(C(10)H(26)N(6))(H(2)O)(2)](C(23)H(14)O(6)) {[Cu(L)(H(2)O)(2)](pam), where L = 3,1...
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/PMC6505617/ https://www.ncbi.nlm.nih.gov/pubmed/31110779 http://dx.doi.org/10.1107/S2056989019003852 |
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author | Tsymbal, Liudmyla V. Andriichuk, Irina L. Arion, Vladimir B. Lampeka, Yaroslaw D. |
author_facet | Tsymbal, Liudmyla V. Andriichuk, Irina L. Arion, Vladimir B. Lampeka, Yaroslaw D. |
author_sort | Tsymbal, Liudmyla V. |
collection | PubMed |
description | The asymmetric unit of the title compound, trans-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane-κ(4) N (1),N (5),N (8),N (12))copper(II) 4,4′-methylenebis(3-hydroxynaphthalene-2-carboxylate), [Cu(C(10)H(26)N(6))(H(2)O)(2)](C(23)H(14)O(6)) {[Cu(L)(H(2)O)(2)](pam), where L = 3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane and pam = dianion of pamoic acid} consists of two independent halves of the [Cu(L)(H(2)O)(2)](2+) cation and one dicarboxylate anion. The Cu(II) atoms, lying on inversion centres, are coordinated by the four secondary N atoms of the macrocyclic ligands and the mutually trans O atoms of the water molecules in a tetragonally elongated octahedral geometry. The average equatorial Cu—N bond length is significantly shorter than the average axial Cu—O bond length [2.007 (10) and 2.486 (18) Å, respectively]. The macrocyclic ligand in the complex cations adopts the most energetically stable trans-III conformation. The complex cations and anions are connected via hydrogen-bonding interactions between the N—H groups of the macrocycles and the O—H groups of coordinated water molecules as the proton donors and the O atoms of the carboxylate as the proton acceptors into layers lying parallel to the (1[Image: see text]1) plane. |
format | Online Article Text |
id | pubmed-6505617 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-65056172019-05-20 Crystal structure of trans-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)copper(II) pamoate Tsymbal, Liudmyla V. Andriichuk, Irina L. Arion, Vladimir B. Lampeka, Yaroslaw D. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, trans-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane-κ(4) N (1),N (5),N (8),N (12))copper(II) 4,4′-methylenebis(3-hydroxynaphthalene-2-carboxylate), [Cu(C(10)H(26)N(6))(H(2)O)(2)](C(23)H(14)O(6)) {[Cu(L)(H(2)O)(2)](pam), where L = 3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane and pam = dianion of pamoic acid} consists of two independent halves of the [Cu(L)(H(2)O)(2)](2+) cation and one dicarboxylate anion. The Cu(II) atoms, lying on inversion centres, are coordinated by the four secondary N atoms of the macrocyclic ligands and the mutually trans O atoms of the water molecules in a tetragonally elongated octahedral geometry. The average equatorial Cu—N bond length is significantly shorter than the average axial Cu—O bond length [2.007 (10) and 2.486 (18) Å, respectively]. The macrocyclic ligand in the complex cations adopts the most energetically stable trans-III conformation. The complex cations and anions are connected via hydrogen-bonding interactions between the N—H groups of the macrocycles and the O—H groups of coordinated water molecules as the proton donors and the O atoms of the carboxylate as the proton acceptors into layers lying parallel to the (1[Image: see text]1) plane. International Union of Crystallography 2019-04-02 /pmc/articles/PMC6505617/ /pubmed/31110779 http://dx.doi.org/10.1107/S2056989019003852 Text en © Tsymbal 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 Tsymbal, Liudmyla V. Andriichuk, Irina L. Arion, Vladimir B. Lampeka, Yaroslaw D. Crystal structure of trans-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)copper(II) pamoate |
title | Crystal structure of trans-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)copper(II) pamoate |
title_full | Crystal structure of trans-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)copper(II) pamoate |
title_fullStr | Crystal structure of trans-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)copper(II) pamoate |
title_full_unstemmed | Crystal structure of trans-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)copper(II) pamoate |
title_short | Crystal structure of trans-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)copper(II) pamoate |
title_sort | crystal structure of trans-diaqua(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)copper(ii) pamoate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505617/ https://www.ncbi.nlm.nih.gov/pubmed/31110779 http://dx.doi.org/10.1107/S2056989019003852 |
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