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Synthesis and crystal structure of di­aqua­(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II) bis­(hydrogen 4-phospho­natobiphenyl-4′-carboxyl­ato)(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II)

In the asymmetric unit of the title compound, trans-di­aqua­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))zinc(II) trans-bis­(hydrogen 4-phospho­natobiphenyl-4′-carboxyl­ato-κO)(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))zinc(II), [Zn(C(10)H(24)N(4))(H...

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Autores principales: Tsymbal, Liudmyla V., Andriichuk, Irina L., Lozan, Vasile, Shova, Sergiu, Lampeka, Yaroslaw D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431794/
https://www.ncbi.nlm.nih.gov/pubmed/36072154
http://dx.doi.org/10.1107/S2056989022004534
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author Tsymbal, Liudmyla V.
Andriichuk, Irina L.
Lozan, Vasile
Shova, Sergiu
Lampeka, Yaroslaw D.
author_facet Tsymbal, Liudmyla V.
Andriichuk, Irina L.
Lozan, Vasile
Shova, Sergiu
Lampeka, Yaroslaw D.
author_sort Tsymbal, Liudmyla V.
collection PubMed
description In the asymmetric unit of the title compound, trans-di­aqua­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))zinc(II) trans-bis­(hydrogen 4-phospho­natobiphenyl-4′-carboxyl­ato-κO)(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))zinc(II), [Zn(C(10)H(24)N(4))(H(2)O)(2)][Zn(C(13)H(9)O(5)P)(2)(C(10)H(24)N(4))], both Zn atoms lie on crystallographic inversion centres and the atoms of the macrocycle in the cation are disordered over two sets of sites. In both macrocyclic units, the metal ions possess a tetra­gonally elongated ZnN(4)O(2) octa­hedral environment formed by the four secondary N atoms of the macrocyclic ligand in the equatorial plane and the two trans O atoms of the water mol­ecules or anions in the axial positions, with the macrocyclic ligands adopting the most energetically favourable trans-III conformation. The average Zn—N bond lengths in both macrocyclic units do not differ significantly [2.112 (12) Å for the anion and 2.101 (3) Å for the cation] and are shorter than the average axial Zn—O bond lengths [2.189 (4) Å for phospho­nate and 2.295 (4) Å for aqua ligands]. In the crystal, the complex cations and anions are connected via hydrogen-bonding inter­actions between the N—H groups of the macrocycles, the O—H groups of coordinated water mol­ecules and the P—O—H groups of the acids as proton donors, and the O atoms of the phospho­nate and carboxyl­ate groups as acceptors, resulting in the formation of layers lying parallel to the (110) plane.
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spelling pubmed-94317942022-09-06 Synthesis and crystal structure of di­aqua­(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II) bis­(hydrogen 4-phospho­natobiphenyl-4′-carboxyl­ato)(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II) Tsymbal, Liudmyla V. Andriichuk, Irina L. Lozan, Vasile Shova, Sergiu Lampeka, Yaroslaw D. Acta Crystallogr E Crystallogr Commun Research Communications In the asymmetric unit of the title compound, trans-di­aqua­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))zinc(II) trans-bis­(hydrogen 4-phospho­natobiphenyl-4′-carboxyl­ato-κO)(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))zinc(II), [Zn(C(10)H(24)N(4))(H(2)O)(2)][Zn(C(13)H(9)O(5)P)(2)(C(10)H(24)N(4))], both Zn atoms lie on crystallographic inversion centres and the atoms of the macrocycle in the cation are disordered over two sets of sites. In both macrocyclic units, the metal ions possess a tetra­gonally elongated ZnN(4)O(2) octa­hedral environment formed by the four secondary N atoms of the macrocyclic ligand in the equatorial plane and the two trans O atoms of the water mol­ecules or anions in the axial positions, with the macrocyclic ligands adopting the most energetically favourable trans-III conformation. The average Zn—N bond lengths in both macrocyclic units do not differ significantly [2.112 (12) Å for the anion and 2.101 (3) Å for the cation] and are shorter than the average axial Zn—O bond lengths [2.189 (4) Å for phospho­nate and 2.295 (4) Å for aqua ligands]. In the crystal, the complex cations and anions are connected via hydrogen-bonding inter­actions between the N—H groups of the macrocycles, the O—H groups of coordinated water mol­ecules and the P—O—H groups of the acids as proton donors, and the O atoms of the phospho­nate and carboxyl­ate groups as acceptors, resulting in the formation of layers lying parallel to the (110) plane. International Union of Crystallography 2022-05-17 /pmc/articles/PMC9431794/ /pubmed/36072154 http://dx.doi.org/10.1107/S2056989022004534 Text en © Tsymbal et al. 2022 https://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.
spellingShingle Research Communications
Tsymbal, Liudmyla V.
Andriichuk, Irina L.
Lozan, Vasile
Shova, Sergiu
Lampeka, Yaroslaw D.
Synthesis and crystal structure of di­aqua­(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II) bis­(hydrogen 4-phospho­natobiphenyl-4′-carboxyl­ato)(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II)
title Synthesis and crystal structure of di­aqua­(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II) bis­(hydrogen 4-phospho­natobiphenyl-4′-carboxyl­ato)(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II)
title_full Synthesis and crystal structure of di­aqua­(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II) bis­(hydrogen 4-phospho­natobiphenyl-4′-carboxyl­ato)(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II)
title_fullStr Synthesis and crystal structure of di­aqua­(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II) bis­(hydrogen 4-phospho­natobiphenyl-4′-carboxyl­ato)(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II)
title_full_unstemmed Synthesis and crystal structure of di­aqua­(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II) bis­(hydrogen 4-phospho­natobiphenyl-4′-carboxyl­ato)(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II)
title_short Synthesis and crystal structure of di­aqua­(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II) bis­(hydrogen 4-phospho­natobiphenyl-4′-carboxyl­ato)(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(II)
title_sort synthesis and crystal structure of di­aqua­(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(ii) bis­(hydrogen 4-phospho­natobiphenyl-4′-carboxyl­ato)(1,4,8,11-tetra­aza­cyclo­tetra­deca­ne)zinc(ii)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9431794/
https://www.ncbi.nlm.nih.gov/pubmed/36072154
http://dx.doi.org/10.1107/S2056989022004534
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