A second solvatomorph of poly[[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization

Acta Crystallographica Section E: Crystallographic Communications

Alina O. Husak¹  Irina A. Golenya¹  Maksym O. Plutenko¹  Matti Haukka²  Nurullo U. Mulloev³ 

[1] Department of Chemistry, National Taras Shevchenko University, Volodymyrska, Street 64, 01601 Kyiv, Ukraine;Department of Chemistry, University of Jyvaskyla, P.O. Box 35, FI-40014 Jyvaskyla, Finland;The Faculty of Physics, Tajik National University, Rudaki Avenue 17, 734025 Dushanbe, Tajikistan;

关键词: nickel(ii) complex;    template reaction;    pseudomacrocyclic ligand;    hydrazide-based ligand;    shape analysis;    hirshfeld surface analysis;    semi-empirical geometry optimization;    crystal structure;   

DOI  :  10.1107/S2056989021011774

来源: DOAJ

【 摘 要 】

The title compound, poly[triaquabis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]dinickel(II)tetrapotassium], [K4Ni2(C7H6N4O7)2(H2O)3]n, is a second solvatomorph of poly[(μ4-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(C7H6N4O7)]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 N2O2 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.

【 授权许可】

Unknown