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
Plutenko, M. O., Haukka, M., Husak, A. O., Golenya, I. A., & Mulloev, N. U. (2021). 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, 77(12), Article E77. https://doi.org/10.1107/s2056989021011774
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Date
2021Discipline
Epäorgaaninen kemiaEpäorgaaninen ja analyyttinen kemiaInorganic ChemistryInorganic and Analytical ChemistryCopyright
© Authors, 2021
The title compound, poly[triaquabis[4-N,N0 -(1,3,5-oxadiazinane-3,5-diyl)bis- (carbamoylmethanoato)]dinickel(II)tetrapotassium], [K4Ni2(C7H6N4O7)2- (H2O)3]n, is a second solvatomorph of poly[(4-N,N0 -(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.
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International Union of CrystallographyISSN Search the Publication Forum
2056-9890Keywords
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This work was supported by the Ministry of Education and Science of Ukraine: Grant of the Ministry of Education and Science of Ukraine for perspective development of a scientific direction ‘Mathematical sciences and natural sciences’ at Taras Shevchenko National University of Kyiv.License
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