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Crystal structure of trans-di­aqua­(1,4,8,11-tetra­aza­undeca­ne)nickel(II) bis­(pyridine-2,6-di­carboxyl­ato)nickel(II)

The asymmetric unit of the title compound, trans-di­aqua­(1,4,8,11-tetra­aza­undecane-κ(4) N (1),N (4),N (8),N (11))nickel(II) bis­(pyridine-2,6-di­carboxyl­ato-κ(3) O (2),N,O (6))nickel(II) {[Ni(L)(H(2)O)(2)][Ni(pdc)(2)] where L = 1,4,8,11-tetra­aza­undecane (C(7)H(20)N(4)) and pdc = the dianion of...

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Autores principales: Andriichuk, Irina L., Tsymbal, Liudmyla V., Arion, Vladimir B., Lampeka, Yaroslaw D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587994/
https://www.ncbi.nlm.nih.gov/pubmed/34868658
http://dx.doi.org/10.1107/S2056989021011178
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author Andriichuk, Irina L.
Tsymbal, Liudmyla V.
Arion, Vladimir B.
Lampeka, Yaroslaw D.
author_facet Andriichuk, Irina L.
Tsymbal, Liudmyla V.
Arion, Vladimir B.
Lampeka, Yaroslaw D.
author_sort Andriichuk, Irina L.
collection PubMed
description The asymmetric unit of the title compound, trans-di­aqua­(1,4,8,11-tetra­aza­undecane-κ(4) N (1),N (4),N (8),N (11))nickel(II) bis­(pyridine-2,6-di­carboxyl­ato-κ(3) O (2),N,O (6))nickel(II) {[Ni(L)(H(2)O)(2)][Ni(pdc)(2)] where L = 1,4,8,11-tetra­aza­undecane (C(7)H(20)N(4)) and pdc = the dianion of pyridine-2,6-di­carb­oxy­lic acid (C(7)H(3)NO(4) (2−))} consists of an [Ni(L)(H(2)O)(2)](2+) complex cation and a [Ni(pdc)(2)](2–) anion. The metal ion in the cation is coordinated by the four N atoms of the tetra­amine ligand and the mutually trans O atoms of the water mol­ecules in a tetra­gonally elongated octa­hedral geometry with the average equatorial Ni—N bond length slightly shorter than the average axial Ni—O bond [2.087 (4) versus 2.128 (4) Å]. The ligand L adopts its energetically favored conformation with five-membered and six-membered chelate rings in gauche and chair conformations, respectively. In the complex anion, the Ni(II) ion is coordinated by the two tridentate pdc(2–) ligands via their carboxyl­ate and nitro­gen atom donors in a distorted octa­hedral trans-NiO(4)N(2) geometry with nearly orthogonal orientation of the planes defining the carboxyl­ate rings and the average Ni—N bond length [1.965 (4) Å] shorter than the average Ni—O bond distance [2.113 (7) Å]. In the crystal, the NH donor groups of the tetra­amine, the carb­oxy­lic groups of the pdc(2–) anion and the coordinated water mol­ecules are involved in numerous N—H⋯O and O—H⋯O hydrogen bonds, leading to electroneutral sheets oriented parallel to the (001) plane.
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spelling pubmed-85879942021-12-02 Crystal structure of trans-di­aqua­(1,4,8,11-tetra­aza­undeca­ne)nickel(II) bis­(pyridine-2,6-di­carboxyl­ato)nickel(II) Andriichuk, Irina L. Tsymbal, Liudmyla V. Arion, Vladimir B. Lampeka, Yaroslaw D. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, trans-di­aqua­(1,4,8,11-tetra­aza­undecane-κ(4) N (1),N (4),N (8),N (11))nickel(II) bis­(pyridine-2,6-di­carboxyl­ato-κ(3) O (2),N,O (6))nickel(II) {[Ni(L)(H(2)O)(2)][Ni(pdc)(2)] where L = 1,4,8,11-tetra­aza­undecane (C(7)H(20)N(4)) and pdc = the dianion of pyridine-2,6-di­carb­oxy­lic acid (C(7)H(3)NO(4) (2−))} consists of an [Ni(L)(H(2)O)(2)](2+) complex cation and a [Ni(pdc)(2)](2–) anion. The metal ion in the cation is coordinated by the four N atoms of the tetra­amine ligand and the mutually trans O atoms of the water mol­ecules in a tetra­gonally elongated octa­hedral geometry with the average equatorial Ni—N bond length slightly shorter than the average axial Ni—O bond [2.087 (4) versus 2.128 (4) Å]. The ligand L adopts its energetically favored conformation with five-membered and six-membered chelate rings in gauche and chair conformations, respectively. In the complex anion, the Ni(II) ion is coordinated by the two tridentate pdc(2–) ligands via their carboxyl­ate and nitro­gen atom donors in a distorted octa­hedral trans-NiO(4)N(2) geometry with nearly orthogonal orientation of the planes defining the carboxyl­ate rings and the average Ni—N bond length [1.965 (4) Å] shorter than the average Ni—O bond distance [2.113 (7) Å]. In the crystal, the NH donor groups of the tetra­amine, the carb­oxy­lic groups of the pdc(2–) anion and the coordinated water mol­ecules are involved in numerous N—H⋯O and O—H⋯O hydrogen bonds, leading to electroneutral sheets oriented parallel to the (001) plane. International Union of Crystallography 2021-10-29 /pmc/articles/PMC8587994/ /pubmed/34868658 http://dx.doi.org/10.1107/S2056989021011178 Text en © Andriichuk 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
Andriichuk, Irina L.
Tsymbal, Liudmyla V.
Arion, Vladimir B.
Lampeka, Yaroslaw D.
Crystal structure of trans-di­aqua­(1,4,8,11-tetra­aza­undeca­ne)nickel(II) bis­(pyridine-2,6-di­carboxyl­ato)nickel(II)
title Crystal structure of trans-di­aqua­(1,4,8,11-tetra­aza­undeca­ne)nickel(II) bis­(pyridine-2,6-di­carboxyl­ato)nickel(II)
title_full Crystal structure of trans-di­aqua­(1,4,8,11-tetra­aza­undeca­ne)nickel(II) bis­(pyridine-2,6-di­carboxyl­ato)nickel(II)
title_fullStr Crystal structure of trans-di­aqua­(1,4,8,11-tetra­aza­undeca­ne)nickel(II) bis­(pyridine-2,6-di­carboxyl­ato)nickel(II)
title_full_unstemmed Crystal structure of trans-di­aqua­(1,4,8,11-tetra­aza­undeca­ne)nickel(II) bis­(pyridine-2,6-di­carboxyl­ato)nickel(II)
title_short Crystal structure of trans-di­aqua­(1,4,8,11-tetra­aza­undeca­ne)nickel(II) bis­(pyridine-2,6-di­carboxyl­ato)nickel(II)
title_sort crystal structure of trans-di­aqua­(1,4,8,11-tetra­aza­undeca­ne)nickel(ii) bis­(pyridine-2,6-di­carboxyl­ato)nickel(ii)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587994/
https://www.ncbi.nlm.nih.gov/pubmed/34868658
http://dx.doi.org/10.1107/S2056989021011178
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