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The first structural characterization of the proton­ated aza­cyclam ligand in catena-poly[[[(perchlorato)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­deca­ne] bis­(per­chlorate)]

The asymmetric unit of the title com­pound, catena-poly[[[(perchlorato-κO)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­decane-κ(4) N (1),N (5),N (8),N (12)] bis­(per­chlorate)], {[Cu(C(13)H(30)N(5)O(2))(ClO(4))](ClO(4))(2)}(n), (I), consists of a macrocyclic cation, o...

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Autores principales: Tsymbal, Liudmyla V., Arion, Vladimir B., Lampeka, Yaroslaw D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829729/
https://www.ncbi.nlm.nih.gov/pubmed/31709093
http://dx.doi.org/10.1107/S205698901901377X
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author Tsymbal, Liudmyla V.
Arion, Vladimir B.
Lampeka, Yaroslaw D.
author_facet Tsymbal, Liudmyla V.
Arion, Vladimir B.
Lampeka, Yaroslaw D.
author_sort Tsymbal, Liudmyla V.
collection PubMed
description The asymmetric unit of the title com­pound, catena-poly[[[(perchlorato-κO)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­decane-κ(4) N (1),N (5),N (8),N (12)] bis­(per­chlorate)], {[Cu(C(13)H(30)N(5)O(2))(ClO(4))](ClO(4))(2)}(n), (I), consists of a macrocyclic cation, one coordinated per­chlorate anion and two per­chlorate ions as counter-anions. The metal ion is coordinated in a tetra­gonally distorted octa­hedral geometry by the four secondary N atoms of the macrocyclic ligand, the mutually trans O atoms of the per­chlorate anion and the carbonyl O atom of the protonated carb­oxy­lic acid group of a neighbouring cation. The average equatorial Cu—N bond lengths [2.01 (6) Å] are significantly shorter than the axial Cu—O bond lengths [2.379 (8) Å for carboxyl­ate and average 2.62 (7) Å for disordered per­chlorate]. The coordinated macrocyclic ligand in (I) adopts the most energetically favourable trans-III conformation with an equatorial orientation of the substituent at the protonated distal 3-position N atom in a six-membered chelate ring. The coordination of the carb­oxy­lic acid group of the cation to a neighbouring com­plex unit results in the formation of infinite chains running along the b-axis direction, which are cross­linked by N—H⋯O hydrogen bonds between the secondary amine groups of the macrocycle and O atoms of the per­chlorate counter-anions to form sheets lying parallel to the (001) plane. Additionally, the extended structure of (I) is consolidated by numerous intra- and interchain C—H⋯O contacts.
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spelling pubmed-68297292019-11-08 The first structural characterization of the proton­ated aza­cyclam ligand in catena-poly[[[(perchlorato)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­deca­ne] bis­(per­chlorate)] Tsymbal, Liudmyla V. Arion, Vladimir B. Lampeka, Yaroslaw D. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title com­pound, catena-poly[[[(perchlorato-κO)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­decane-κ(4) N (1),N (5),N (8),N (12)] bis­(per­chlorate)], {[Cu(C(13)H(30)N(5)O(2))(ClO(4))](ClO(4))(2)}(n), (I), consists of a macrocyclic cation, one coordinated per­chlorate anion and two per­chlorate ions as counter-anions. The metal ion is coordinated in a tetra­gonally distorted octa­hedral geometry by the four secondary N atoms of the macrocyclic ligand, the mutually trans O atoms of the per­chlorate anion and the carbonyl O atom of the protonated carb­oxy­lic acid group of a neighbouring cation. The average equatorial Cu—N bond lengths [2.01 (6) Å] are significantly shorter than the axial Cu—O bond lengths [2.379 (8) Å for carboxyl­ate and average 2.62 (7) Å for disordered per­chlorate]. The coordinated macrocyclic ligand in (I) adopts the most energetically favourable trans-III conformation with an equatorial orientation of the substituent at the protonated distal 3-position N atom in a six-membered chelate ring. The coordination of the carb­oxy­lic acid group of the cation to a neighbouring com­plex unit results in the formation of infinite chains running along the b-axis direction, which are cross­linked by N—H⋯O hydrogen bonds between the secondary amine groups of the macrocycle and O atoms of the per­chlorate counter-anions to form sheets lying parallel to the (001) plane. Additionally, the extended structure of (I) is consolidated by numerous intra- and interchain C—H⋯O contacts. International Union of Crystallography 2019-10-22 /pmc/articles/PMC6829729/ /pubmed/31709093 http://dx.doi.org/10.1107/S205698901901377X 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.
Arion, Vladimir B.
Lampeka, Yaroslaw D.
The first structural characterization of the proton­ated aza­cyclam ligand in catena-poly[[[(perchlorato)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­deca­ne] bis­(per­chlorate)]
title The first structural characterization of the proton­ated aza­cyclam ligand in catena-poly[[[(perchlorato)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­deca­ne] bis­(per­chlorate)]
title_full The first structural characterization of the proton­ated aza­cyclam ligand in catena-poly[[[(perchlorato)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­deca­ne] bis­(per­chlorate)]
title_fullStr The first structural characterization of the proton­ated aza­cyclam ligand in catena-poly[[[(perchlorato)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­deca­ne] bis­(per­chlorate)]
title_full_unstemmed The first structural characterization of the proton­ated aza­cyclam ligand in catena-poly[[[(perchlorato)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­deca­ne] bis­(per­chlorate)]
title_short The first structural characterization of the proton­ated aza­cyclam ligand in catena-poly[[[(perchlorato)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­deca­ne] bis­(per­chlorate)]
title_sort first structural characterization of the proton­ated aza­cyclam ligand in catena-poly[[[(perchlorato)copper(ii)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­deca­ne] bis­(per­chlorate)]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829729/
https://www.ncbi.nlm.nih.gov/pubmed/31709093
http://dx.doi.org/10.1107/S205698901901377X
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