Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Tsymbal, Liudmyla V., Andriichuk, Irina L., 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/PMC6505617/
https://www.ncbi.nlm.nih.gov/pubmed/31110779
http://dx.doi.org/10.1107/S2056989019003852
_version_ 1783416792225415168
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
work_keys_str_mv AT tsymballiudmylav crystalstructureoftransdiaqua310dimethyl13581012hexaazacyclotetradecanecopperiipamoate
AT andriichukirinal crystalstructureoftransdiaqua310dimethyl13581012hexaazacyclotetradecanecopperiipamoate
AT arionvladimirb crystalstructureoftransdiaqua310dimethyl13581012hexaazacyclotetradecanecopperiipamoate
AT lampekayaroslawd crystalstructureoftransdiaqua310dimethyl13581012hexaazacyclotetradecanecopperiipamoate