Crystal structure and Hirshfeld surface analysis of (nitrato-κ 2 O , O ′)(1,4,7,10-tetraazacyclododecane-κ 4 N )nickel(II) nitrate

The crystal structure of the title compound, [Ni(C 8 H 20 N 4 )(NO 3 )]NO 3 , at room temperature, has monoclinic ( P 2 1 / n ) symmetry. The structure displays intermolecular hydrogen bonding. The nickel displays a distorted bipyramidal geometry with the symmetric bidentate bonded nitrate occupying...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2024-11, Vol.80 (11), p.1157-1160
Hauptverfasser: Reibenspies, Joseph, Small, Nadia, Bhuvanesh, Nattamai, Chiarella, Gina, Salazar, Vivian, Pery, Bréayshia, Smith, Rukiyah, Toole, Deja, Hewage, Shamika, Fernando, Harschica, Reinheimer, Eric
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Sprache:eng
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Zusammenfassung:The crystal structure of the title compound, [Ni(C 8 H 20 N 4 )(NO 3 )]NO 3 , at room temperature, has monoclinic ( P 2 1 / n ) symmetry. The structure displays intermolecular hydrogen bonding. The nickel displays a distorted bipyramidal geometry with the symmetric bidentate bonded nitrate occupying an equatorial site. The 1,4,7,10-tetraazacyclododecane (cyclen) backbone has the [4,8] configuration, with three nitrogen-bound H atoms directed above the plane of the nitrogen atoms towards the offset nickel atom with the fourth nitrogen-bound hydrogen directed below from the plane of the nitrogen atoms. The nitrate anion O atoms are seen to hydrogen bond to the H atoms bound to the N atoms of the ligand.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989024009496