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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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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. |
format | Online Article Text |
id | pubmed-8647735 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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