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Synthesis and structure of di-aqua-bis-(nicotinamide-κO)bis-(nitrato-κ2 O,O')calcium(II)
Zulfiya Djumanazarova1, Shakhnoza Kadirova2, Nuritdin Kattaev2
1Karakalpak State University named after Berdakh Republic of Karakalpakstan Abdirova Street 1 Nukus 742012 Karakalpakstan.
Abstract:
The title complex, [Ca(NO3)2(C6H6N2O)2(H2O)2], crystallizes with an eight-coordinate Ca2+ ion in a distorted trigonal-dodeca-hedral coordination environment. The metal ion is coordinated to two nicotinamide ligands via their carbonyl O atoms, two bidentate nitrate anions and two water mol-ecules. The nicotinamide ligands adopt a nearly trans geometry, while the nitrate anions and aqua ligands are arranged in a pseudo-trans fashion. In the crystal, a three-dimensional supra-molecular framework is constructed through N-H⋯O and O-H⋯O hydrogen bonds involving water, nitrate, and nicotinamide functional groups, reinforced by offset π-π stacking inter-actions between nearly parallel pyridine rings [centroid-to-centroid distance = 3.783 (2) Å]. A Hirshfeld surface analysis revealed that the inter-molecular inter-actions are dominated by O⋯H/H⋯O (42.3%) and H⋯H (26.2%) contacts, corresponding to classical hydrogen bonding and van der Waals forces, respectively.
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