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

The crystal structure of the title compound, [Ni(C<sub>8</sub>H<sub>20</sub>N<sub>4</sub>)(NO<sub>3</sub>)]NO<sub>3</sub>, at room temperature, has monoclinic (<i>P</i>2<sub>1</sub>/<i>n</i>) symmetry. The structure displays inter-molecular hydrogen bonding. The nickel displays a distorted bipyramidal geometry with the symmetric bidentate bonded nitrate occupying an equatorial site. The 1,4,7,10-tetra-aza-cyclo-dodecane (cyclen) backbone has the [4,8] configuration, with three nitro-gen-bound H atoms directed above the plane of the nitro-gen atoms towards the offset nickel atom with the fourth nitro-gen-bound hydrogen directed below from the plane of the nitro-gen atoms. The nitrate anion O atoms are seen to hydrogen bond to the H atoms bound to the N atoms of the ligand.

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Journal
Acta Crystallographica Section E Crystallographic Communications
Published
2024-10-11
DOI
https://doi.org/10.1107/s2056989024009496
Primary Topic
Crystal structures of chemical compounds
Type
article
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Crystal structure and Hirshfeld surface analysis of (nitrato-κ2 O,O′)(1,4,7,10-tetraazacyclododecane-κ4 N)nickel(II) nitrate

Sujatha Hewage, Eric W. Reinheimer, Joseph H. Reibenspies, Dierdre A. Toole et al.
Acta Crystallographica Section E Crystallographic Communications
Crystal structures of chemical compounds
article

Crystal structure and Hirshfeld surface analysis of (nitrato-κ2 O,O′)(1,4,7,10-tetraazacyclododecane-κ4 N)nickel(II) nitrate

Sujatha Hewage, Eric W. Reinheimer, Joseph H. Reibenspies, Dierdre A. Toole, Gina M. Chiarella, Nattamai Bhuvanesh, Nadia Small, Bréayshia Pery, H. Chandasiri Fernando, Rukiyah Smith, Vivian Salazar
article en

Abstract

The crystal structure of the title compound, [Ni(C<sub>8</sub>H<sub>20</sub>N<sub>4</sub>)(NO<sub>3</sub>)]NO<sub>3</sub>, at room temperature, has monoclinic (<i>P</i>2<sub>1</sub>/<i>n</i>) symmetry. The structure displays inter-molecular hydrogen bonding. The nickel displays a distorted bipyramidal geometry with the symmetric bidentate bonded nitrate occupying an equatorial site. The 1,4,7,10-tetra-aza-cyclo-dodecane (cyclen) backbone has the [4,8] configuration, with three nitro-gen-bound H atoms directed above the plane of the nitro-gen atoms towards the offset nickel atom with the fourth nitro-gen-bound hydrogen directed below from the plane of the nitro-gen atoms. The nitrate anion O atoms are seen to hydrogen bond to the H atoms bound to the N atoms of the ligand.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 80(11)
Prairie View A&M University (US), Rigaku (Japan) (JP), Texas A&M University (US)
Openalex Percentile: Top 87%
Crystal structures of chemical compounds
DOIOpen Access PDFOpenAlex
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Crystal structure and Hirshfeld surface analysis of (nitrato-κ<sup>2</sup> <i>O</i>,<i>O</i>′)(1,4,7,10-tetraazacyclododecane-κ<sup>4</sup> <i>N</i>)nickel(II) nitrate — Sujatha Hewage, Eric W. Reinheimer, et al. · Acta Crystallographica Section E Crystallographic Communications (2024) | TGRS Research Map | TGRS