Literature DB >> 33953955

Crystal structure and Hirshfeld surface analysis of poly[[bis-[μ4-N,N'-(1,3,5-oxadiazinane-3,5-di-yl)bis(carbamoyl-methano-ato)]nickel(II)tetra-potassium] 4.8-hydrate].

Maksym O Plutenko1, Matti Haukka2, Alina O Husak1,3, Turganbay S Iskenderov1, Nurullo U Mulloev4.   

Abstract

The title compound, {[K4Ni2(C7H6N4O7)2]·4.8H2O} n , was obtained as a result of a template reaction between oxalohydrazide-hydroxamic acid, formaldehyde and nickel(II) nitrate followed by partial hydrolysis of the formed inter-mediate. The two independent [Ni(C7H6N4O7)]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 NiII atom has a square-planar N2O2 coordination arrangement formed by two amide N and two carboxyl-ate 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 mol-ecules act as donors and the carb-oxy-lic O atoms, the amide O atoms and the oxadiazinane N atoms act as acceptors. © Plutenko et al. 2021.

Entities:  

Keywords:  Hirshfeld surface analysis; SHAPE analysis; crystal structure; hydrazide-based ligand; nickel(II) complex; pseudomacrocyclic ligand; template reaction

Year:  2021        PMID: 33953955      PMCID: PMC8061116          DOI: 10.1107/S205698902100205X

Source DB:  PubMed          Journal:  Acta Crystallogr E Crystallogr Commun


  12 in total

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Journal:  Chem Commun (Camb)       Date:  2006-08-22       Impact factor: 6.222

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7.  Crystal structure refinement with SHELXL.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr C Struct Chem       Date:  2015-01-01       Impact factor: 1.172

8.  Indefinitely stable iron(IV) cage complexes formed in water by air oxidation.

Authors:  Stefania Tomyn; Sergii I Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O Fritsky
Journal:  Nat Commun       Date:  2017-01-19       Impact factor: 14.919

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Authors:  Sergii I Shylin; Mariia V Pavliuk; Luca D'Amario; Igor O Fritsky; Gustav Berggren
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10.  The Cambridge Structural Database.

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Journal:  Acta Crystallogr B Struct Sci Cryst Eng Mater       Date:  2016-04-01
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