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-κ4N1,N4,N8,N11)nickel(II) bis(pyridine-2,6-dicarboxylato-κ3O2,N,O6)nickel(II) {[Ni(L)(H2O)2][Ni(pdc)2] where L = 1,4,8,11-tetraazaundecane (C7H20N4) and pdc = the dianion of pyridine-2,6-dicarboxylic acid (C7H3NO42−)}...

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Autores principales:	Irina L. Andriichuk, Liudmyla V. Tsymbal, Vladimir B. Arion, Yaroslaw D. Lampeka
Formato:	article
Lenguaje:	EN
Publicado:	International Union of Crystallography 2021
Materias:	crystal structure cyclam nickel pyridine-2,6-dicarboxylate hydrogen bonds Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/cf85ea384a1d487c9a0aace0ffdc65e6
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spelling	oai:doaj.org-article:cf85ea384a1d487c9a0aace0ffdc65e62021-11-12T11:16:09ZCrystal structure of trans-diaqua(1,4,8,11-tetraazaundecane)nickel(II) bis(pyridine-2,6-dicarboxylato)nickel(II)2056-989010.1107/S2056989021011178https://doaj.org/article/cf85ea384a1d487c9a0aace0ffdc65e62021-11-01T00:00:00Zhttp://scripts.iucr.org/cgi-bin/paper?S2056989021011178https://doaj.org/toc/2056-9890The asymmetric unit of the title compound, trans-diaqua(1,4,8,11-tetraazaundecane-κ4N1,N4,N8,N11)nickel(II) bis(pyridine-2,6-dicarboxylato-κ3O2,N,O6)nickel(II) {[Ni(L)(H2O)2][Ni(pdc)2] where L = 1,4,8,11-tetraazaundecane (C7H20N4) and pdc = the dianion of pyridine-2,6-dicarboxylic acid (C7H3NO42−)} consists of an [Ni(L)(H2O)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 NiII ion is coordinated by the two tridentate pdc2– ligands via their carboxylate and nitrogen atom donors in a distorted octahedral trans-NiO4N2 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 pdc2– 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.Irina L. AndriichukLiudmyla V. TsymbalVladimir B. ArionYaroslaw D. LampekaInternational Union of Crystallographyarticlecrystal structurecyclamnickelpyridine-2,6-dicarboxylatehydrogen bondsChemistryQD1-999ENActa Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 11, Pp 1175-1179 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	crystal structure cyclam nickel pyridine-2,6-dicarboxylate hydrogen bonds Chemistry QD1-999
spellingShingle	crystal structure cyclam nickel pyridine-2,6-dicarboxylate hydrogen bonds Chemistry QD1-999 Irina L. Andriichuk Liudmyla V. Tsymbal Vladimir B. Arion Yaroslaw D. Lampeka Crystal structure of trans-diaqua(1,4,8,11-tetraazaundecane)nickel(II) bis(pyridine-2,6-dicarboxylato)nickel(II)
description	The asymmetric unit of the title compound, trans-diaqua(1,4,8,11-tetraazaundecane-κ4N1,N4,N8,N11)nickel(II) bis(pyridine-2,6-dicarboxylato-κ3O2,N,O6)nickel(II) {[Ni(L)(H2O)2][Ni(pdc)2] where L = 1,4,8,11-tetraazaundecane (C7H20N4) and pdc = the dianion of pyridine-2,6-dicarboxylic acid (C7H3NO42−)} consists of an [Ni(L)(H2O)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 NiII ion is coordinated by the two tridentate pdc2– ligands via their carboxylate and nitrogen atom donors in a distorted octahedral trans-NiO4N2 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 pdc2– 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	article
author	Irina L. Andriichuk Liudmyla V. Tsymbal Vladimir B. Arion Yaroslaw D. Lampeka
author_facet	Irina L. Andriichuk Liudmyla V. Tsymbal Vladimir B. Arion Yaroslaw D. Lampeka
author_sort	Irina L. Andriichuk
title	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_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_sort	crystal structure of trans-diaqua(1,4,8,11-tetraazaundecane)nickel(ii) bis(pyridine-2,6-dicarboxylato)nickel(ii)
publisher	International Union of Crystallography
publishDate	2021
url	https://doaj.org/article/cf85ea384a1d487c9a0aace0ffdc65e6
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Crystal structure of trans-diaqua(1,4,8,11-tetraazaundecane)nickel(II) bis(pyridine-2,6-dicarboxylato)nickel(II)

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