Cargando…
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...
Autores principales: | , , , |
---|---|
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 |
_version_ | 1784598321870929920 |
---|---|
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. |
format | Online Article Text |
id | pubmed-8587994 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT andriichukirinal crystalstructureoftransdiaqua14811tetraazaundecanenickeliibispyridine26dicarboxylatonickelii AT tsymballiudmylav crystalstructureoftransdiaqua14811tetraazaundecanenickeliibispyridine26dicarboxylatonickelii AT arionvladimirb crystalstructureoftransdiaqua14811tetraazaundecanenickeliibispyridine26dicarboxylatonickelii AT lampekayaroslawd crystalstructureoftransdiaqua14811tetraazaundecanenickeliibispyridine26dicarboxylatonickelii |