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A second solvatomorph of poly[[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis­(carbamoyl­methano­ato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization

The title compound, poly[tri­aqua­bis­[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis(carbamoyl­methano­ato)]dinickel(II)tetra­potassium], [K(4)Ni(2)(C(7)H(6)N(4)O(7))(2)(H(2)O)(3)]( n ), is a second solvatomorph of poly[(μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis­(carbamoyl­methano­ato)nickel(II)dipo...

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Detalles Bibliográficos
Autores principales: Plutenko, Maksym O., Haukka, Matti, Husak, Alina O., Golenya, Irina A., Mulloev, Nurullo U.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8647735/
https://www.ncbi.nlm.nih.gov/pubmed/34925900
http://dx.doi.org/10.1107/S2056989021011774
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author Plutenko, Maksym O.
Haukka, Matti
Husak, Alina O.
Golenya, Irina A.
Mulloev, Nurullo U.
author_facet Plutenko, Maksym O.
Haukka, Matti
Husak, Alina O.
Golenya, Irina A.
Mulloev, Nurullo U.
author_sort Plutenko, Maksym O.
collection PubMed
description The title compound, poly[tri­aqua­bis­[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis(carbamoyl­methano­ato)]dinickel(II)tetra­potassium], [K(4)Ni(2)(C(7)H(6)N(4)O(7))(2)(H(2)O)(3)]( n ), is a second solvatomorph of poly[(μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis­(carbamoyl­methano­ato)nickel(II)dipotassium] reported previously [Plutenko et al. (2021 ▸). Acta Cryst. E77, 298–304]. The asymmetric unit of the title compound includes two structurally independent complex anions [Ni(C(7)H(6)N(4)O(7))](2−), which exhibit an L-shaped geometry and consist of two almost flat fragments perpendicular to one another: the 1,3,5-oxadiazinane fragment and the fragment including other atoms of the anion. The central Ni atom is in a square-planar N(2)O(2) coordination arrangement formed by two amide N and two carboxyl­ate O atoms. In the crystal, the title compound forms a layered structure in which layers of negatively charged complex anions and positively charged potassium cations are stacked along the a-axis direction. The polymeric framework is stabilized by a system of hydrogen-bonding inter­actions in which the water mol­ecules act as donors and the carb­oxy­lic, amide and water O atoms act as acceptors.
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spelling pubmed-86477352021-12-16 A second solvatomorph of poly[[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis­(carbamoyl­methano­ato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization Plutenko, Maksym O. Haukka, Matti Husak, Alina O. Golenya, Irina A. Mulloev, Nurullo U. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, poly[tri­aqua­bis­[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis(carbamoyl­methano­ato)]dinickel(II)tetra­potassium], [K(4)Ni(2)(C(7)H(6)N(4)O(7))(2)(H(2)O)(3)]( n ), is a second solvatomorph of poly[(μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis­(carbamoyl­methano­ato)nickel(II)dipotassium] reported previously [Plutenko et al. (2021 ▸). Acta Cryst. E77, 298–304]. The asymmetric unit of the title compound includes two structurally independent complex anions [Ni(C(7)H(6)N(4)O(7))](2−), which exhibit an L-shaped geometry and consist of two almost flat fragments perpendicular to one another: the 1,3,5-oxadiazinane fragment and the fragment including other atoms of the anion. The central Ni atom is in a square-planar N(2)O(2) coordination arrangement formed by two amide N and two carboxyl­ate O atoms. In the crystal, the title compound forms a layered structure in which layers of negatively charged complex anions and positively charged potassium cations are stacked along the a-axis direction. The polymeric framework is stabilized by a system of hydrogen-bonding inter­actions in which the water mol­ecules act as donors and the carb­oxy­lic, amide and water O atoms act as acceptors. International Union of Crystallography 2021-11-12 /pmc/articles/PMC8647735/ /pubmed/34925900 http://dx.doi.org/10.1107/S2056989021011774 Text en © Plutenko 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
Plutenko, Maksym O.
Haukka, Matti
Husak, Alina O.
Golenya, Irina A.
Mulloev, Nurullo U.
A second solvatomorph of poly[[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis­(carbamoyl­methano­ato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization
title A second solvatomorph of poly[[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis­(carbamoyl­methano­ato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization
title_full A second solvatomorph of poly[[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis­(carbamoyl­methano­ato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization
title_fullStr A second solvatomorph of poly[[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis­(carbamoyl­methano­ato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization
title_full_unstemmed A second solvatomorph of poly[[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis­(carbamoyl­methano­ato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization
title_short A second solvatomorph of poly[[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis­(carbamoyl­methano­ato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization
title_sort second solvatomorph of poly[[μ(4)-n,n′-(1,3,5-oxadiazinane-3,5-di­yl)bis­(carbamoyl­methano­ato)]nickel(ii)dipotassium]: crystal structure, hirshfeld surface analysis and semi-empirical geometry optimization
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8647735/
https://www.ncbi.nlm.nih.gov/pubmed/34925900
http://dx.doi.org/10.1107/S2056989021011774
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