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硝酸（硝基-κO）（1,4,7,10-四氮杂环十二烷-κN）镍（II）的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of (nitrato-κ ,')(1,4,7,10-tetra-aza-cyclo-dodecane-κ )nickel(II) nitrate.

作者信息

Reibenspies Joseph, Small Nadia, Bhuvanesh Nattamai, Chiarella Gina, Salazar Vivian, Pery Bréayshia, Smith Rukiyah, Toole Deja, Hewage Shamika, Fernando Harschica, Reinheimer Eric

机构信息

Department of Chemistry, Texas A&M University, College Station, Texas 77843, USA.

Prairie View A&M University,Prairie View Texas 77446 USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Oct 11;80(Pt 11):1157-1160. doi: 10.1107/S2056989024009496. eCollection 2024 Oct 1.

DOI:10.1107/S2056989024009496
PMID:39712170
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11660466/
Abstract

The crystal structure of the title compound, [Ni(CHN)(NO)]NO, at room temperature, has monoclinic (2/) 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.

摘要

标题化合物[Ni(CHN)(NO)]NO在室温下的晶体结构具有单斜（2/）对称性。该结构显示出分子间氢键。镍呈现出扭曲的双锥几何构型，对称双齿键合的硝酸根占据一个赤道位置。1,4,7,10 - 四氮杂环十二烷（环烯）主链具有[4,8]构型，三个与氮相连的氢原子指向氮原子平面上方朝向偏移的镍原子，而第四个与氮相连的氢原子指向氮原子平面下方。硝酸根阴离子的氧原子与配体中与氮原子相连的氢原子形成氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d129/11660466/406794633b68/e-80-01157-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d129/11660466/efc11e7d7c3e/e-80-01157-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d129/11660466/30ced33e809a/e-80-01157-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d129/11660466/e92f128e1750/e-80-01157-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d129/11660466/9ddf98f428b2/e-80-01157-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d129/11660466/406794633b68/e-80-01157-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d129/11660466/efc11e7d7c3e/e-80-01157-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d129/11660466/30ced33e809a/e-80-01157-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d129/11660466/e92f128e1750/e-80-01157-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d129/11660466/9ddf98f428b2/e-80-01157-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d129/11660466/406794633b68/e-80-01157-fig5.jpg

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