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Crystal structure and Hirshfeld surface analysis of poly[[bis­[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis(carbamoyl­methano­ato)]nickel(II)tetra­potassium] 4.8-hydrate]

The title compound, {[K(4)Ni(2)(C(7)H(6)N(4)O(7))(2)]·4.8H(2)O}(n), was obtained as a result of a template reaction between oxalohydrazide­hydroxamic acid, formaldehyde and nickel(II) nitrate followed by partial hydrolysis of the formed inter­mediate. The two independent [Ni(C(7)H(6)N(4)O(7))](2–) c...

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Autores principales: Plutenko, Maksym O., Haukka, Matti, Husak, Alina O., Iskenderov, Turganbay S., 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/PMC8061116/
https://www.ncbi.nlm.nih.gov/pubmed/33953955
http://dx.doi.org/10.1107/S205698902100205X
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author Plutenko, Maksym O.
Haukka, Matti
Husak, Alina O.
Iskenderov, Turganbay S.
Mulloev, Nurullo U.
author_facet Plutenko, Maksym O.
Haukka, Matti
Husak, Alina O.
Iskenderov, Turganbay S.
Mulloev, Nurullo U.
author_sort Plutenko, Maksym O.
collection PubMed
description The title compound, {[K(4)Ni(2)(C(7)H(6)N(4)O(7))(2)]·4.8H(2)O}(n), was obtained as a result of a template reaction between oxalohydrazide­hydroxamic acid, formaldehyde and nickel(II) nitrate followed by partial hydrolysis of the formed inter­mediate. The two independent [Ni(C(7)H(6)N(4)O(7))](2–) complex anions exhibit pseudo-C (S) symmetry and consist of an almost planar metal-containing fragment and a 1,3,5-oxadiazinane ring with a chair conformation disposed nearly perpendicularly with respect to the former. The central Ni(II) atom has a square-planar N(2)O(2) coordination arrangement formed by two amide N and two carboxyl­ate O atoms. In the crystal, the nickel(II) complex anions form layers parallel to the ab plane. Neighboring complex anion layers are connected by layers of potassium cations for which two of the four independent cations are disordered over two sites [ratios of 0.54 (3):0.46 (3) and 0.9643 (15):0.0357 (15)]. The framework is stabilized by an extensive system of hydrogen bonds where the water mol­ecules act as donors and the carb­oxy­lic O atoms, the amide O atoms and the oxadiazinane N atoms act as acceptors.
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spelling pubmed-80611162021-05-04 Crystal structure and Hirshfeld surface analysis of poly[[bis­[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis(carbamoyl­methano­ato)]nickel(II)tetra­potassium] 4.8-hydrate] Plutenko, Maksym O. Haukka, Matti Husak, Alina O. Iskenderov, Turganbay S. Mulloev, Nurullo U. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, {[K(4)Ni(2)(C(7)H(6)N(4)O(7))(2)]·4.8H(2)O}(n), was obtained as a result of a template reaction between oxalohydrazide­hydroxamic acid, formaldehyde and nickel(II) nitrate followed by partial hydrolysis of the formed inter­mediate. The two independent [Ni(C(7)H(6)N(4)O(7))](2–) complex anions exhibit pseudo-C (S) symmetry and consist of an almost planar metal-containing fragment and a 1,3,5-oxadiazinane ring with a chair conformation disposed nearly perpendicularly with respect to the former. The central Ni(II) atom has a square-planar N(2)O(2) coordination arrangement formed by two amide N and two carboxyl­ate O atoms. In the crystal, the nickel(II) complex anions form layers parallel to the ab plane. Neighboring complex anion layers are connected by layers of potassium cations for which two of the four independent cations are disordered over two sites [ratios of 0.54 (3):0.46 (3) and 0.9643 (15):0.0357 (15)]. The framework is stabilized by an extensive system of hydrogen bonds where the water mol­ecules act as donors and the carb­oxy­lic O atoms, the amide O atoms and the oxadiazinane N atoms act as acceptors. International Union of Crystallography 2021-02-26 /pmc/articles/PMC8061116/ /pubmed/33953955 http://dx.doi.org/10.1107/S205698902100205X 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.
Iskenderov, Turganbay S.
Mulloev, Nurullo U.
Crystal structure and Hirshfeld surface analysis of poly[[bis­[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis(carbamoyl­methano­ato)]nickel(II)tetra­potassium] 4.8-hydrate]
title Crystal structure and Hirshfeld surface analysis of poly[[bis­[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis(carbamoyl­methano­ato)]nickel(II)tetra­potassium] 4.8-hydrate]
title_full Crystal structure and Hirshfeld surface analysis of poly[[bis­[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis(carbamoyl­methano­ato)]nickel(II)tetra­potassium] 4.8-hydrate]
title_fullStr Crystal structure and Hirshfeld surface analysis of poly[[bis­[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis(carbamoyl­methano­ato)]nickel(II)tetra­potassium] 4.8-hydrate]
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of poly[[bis­[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis(carbamoyl­methano­ato)]nickel(II)tetra­potassium] 4.8-hydrate]
title_short Crystal structure and Hirshfeld surface analysis of poly[[bis­[μ(4)-N,N′-(1,3,5-oxadiazinane-3,5-di­yl)bis(carbamoyl­methano­ato)]nickel(II)tetra­potassium] 4.8-hydrate]
title_sort crystal structure and hirshfeld surface analysis of poly[[bis­[μ(4)-n,n′-(1,3,5-oxadiazinane-3,5-di­yl)bis(carbamoyl­methano­ato)]nickel(ii)tetra­potassium] 4.8-hydrate]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8061116/
https://www.ncbi.nlm.nih.gov/pubmed/33953955
http://dx.doi.org/10.1107/S205698902100205X
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