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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2022
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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. |
format | Online Article Text |
id | pubmed-9431794 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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