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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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Autores principales: Moon, Dohyun, Jeon, Sunghwan, Lim, Woo Taik, Ryoo, Keon Sang, Choi, Jong-Ha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
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].
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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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