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Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) tetrabromide dihydrate, [Cu(C(22)H(44)N(4))(H(2)O)(2)][Cu(C(22)H(44)N(4))]Br(4)·2H(2)O
The crystal structure of the new double Cu(II) complex salt, [Cu(L)(H(2)O)(2)][Cu(L)]Br(4)·2H(2)O (L = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane, C(22)H(44)N(4)) has been determined using synchrotron radiation. The asymmetric unit contains one half of a [Cu(L)(H(2)O)(2)](2+...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2021
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8183443/ https://www.ncbi.nlm.nih.gov/pubmed/34164151 http://dx.doi.org/10.1107/S205698902100551X |
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author | Moon, Dohyun Jeon, Sunghwan Lim, Woo Taik Ryoo, Keon Sang Choi, Jong-Ha |
author_facet | Moon, Dohyun Jeon, Sunghwan Lim, Woo Taik Ryoo, Keon Sang Choi, Jong-Ha |
author_sort | Moon, Dohyun |
collection | PubMed |
description | The crystal structure of the new double Cu(II) complex salt, [Cu(L)(H(2)O)(2)][Cu(L)]Br(4)·2H(2)O (L = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane, C(22)H(44)N(4)) has been determined using synchrotron radiation. The asymmetric unit contains one half of a [Cu(L)(H(2)O)(2)](2+) cation, one half of a [Cu(L)](2+) cation (both completed by crystallographic inversion symmetry), two bromide anions and one water solvent molecule. The Cu(II) atom in the first complex exists in a tetragonally distorted octahedral environment with the four N atoms of the macrocyclic ligand in equatorial and two aqua ligands in axial positions, whereas the Cu(II) atom in the second complex exists in a square-planar environment defined by the four nitrogen atoms of the macrocyclic ligand. The two macrocyclic rings adopt the most stable trans-III configuration with normal Cu—N bond lengths from 2.016 (3) to 2.055 (3) Å and an axial Cu—O bond length of 2.658 (4) Å. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H or C—H groups and the O—H groups of water molecules as donor groups, and the O atoms of water molecules and bromide anions as acceptor groups, giving rise to a one-dimensional network extending parallel to [100]. |
format | Online Article Text |
id | pubmed-8183443 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-81834432021-06-22 Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) tetrabromide dihydrate, [Cu(C(22)H(44)N(4))(H(2)O)(2)][Cu(C(22)H(44)N(4))]Br(4)·2H(2)O Moon, Dohyun Jeon, Sunghwan Lim, Woo Taik Ryoo, Keon Sang Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the new double Cu(II) complex salt, [Cu(L)(H(2)O)(2)][Cu(L)]Br(4)·2H(2)O (L = 3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane, C(22)H(44)N(4)) has been determined using synchrotron radiation. The asymmetric unit contains one half of a [Cu(L)(H(2)O)(2)](2+) cation, one half of a [Cu(L)](2+) cation (both completed by crystallographic inversion symmetry), two bromide anions and one water solvent molecule. The Cu(II) atom in the first complex exists in a tetragonally distorted octahedral environment with the four N atoms of the macrocyclic ligand in equatorial and two aqua ligands in axial positions, whereas the Cu(II) atom in the second complex exists in a square-planar environment defined by the four nitrogen atoms of the macrocyclic ligand. The two macrocyclic rings adopt the most stable trans-III configuration with normal Cu—N bond lengths from 2.016 (3) to 2.055 (3) Å and an axial Cu—O bond length of 2.658 (4) Å. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H or C—H groups and the O—H groups of water molecules as donor groups, and the O atoms of water molecules and bromide anions as acceptor groups, giving rise to a one-dimensional network extending parallel to [100]. International Union of Crystallography 2021-05-28 /pmc/articles/PMC8183443/ /pubmed/34164151 http://dx.doi.org/10.1107/S205698902100551X Text en © Moon et al. 2021 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 Moon, Dohyun Jeon, Sunghwan Lim, Woo Taik Ryoo, Keon Sang Choi, Jong-Ha Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) tetrabromide dihydrate, [Cu(C(22)H(44)N(4))(H(2)O)(2)][Cu(C(22)H(44)N(4))]Br(4)·2H(2)O |
title | Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) tetrabromide dihydrate, [Cu(C(22)H(44)N(4))(H(2)O)(2)][Cu(C(22)H(44)N(4))]Br(4)·2H(2)O |
title_full | Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) tetrabromide dihydrate, [Cu(C(22)H(44)N(4))(H(2)O)(2)][Cu(C(22)H(44)N(4))]Br(4)·2H(2)O |
title_fullStr | Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) tetrabromide dihydrate, [Cu(C(22)H(44)N(4))(H(2)O)(2)][Cu(C(22)H(44)N(4))]Br(4)·2H(2)O |
title_full_unstemmed | Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) tetrabromide dihydrate, [Cu(C(22)H(44)N(4))(H(2)O)(2)][Cu(C(22)H(44)N(4))]Br(4)·2H(2)O |
title_short | Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(II) tetrabromide dihydrate, [Cu(C(22)H(44)N(4))(H(2)O)(2)][Cu(C(22)H(44)N(4))]Br(4)·2H(2)O |
title_sort | crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(ii) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0(7,12)]docosane)copper(ii) tetrabromide dihydrate, [cu(c(22)h(44)n(4))(h(2)o)(2)][cu(c(22)h(44)n(4))]br(4)·2h(2)o |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8183443/ https://www.ncbi.nlm.nih.gov/pubmed/34164151 http://dx.doi.org/10.1107/S205698902100551X |
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