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硝酸3,4,7,8-四甲基-1,10-菲啰啉鎓一水合物

3,4,7,8-Tetra-methyl-1,10-phenanthrolin-1-ium nitrate monohydrate.

作者信息

Zhang Ke-Jie, Zhang Yan-Fang

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1931-2. doi: 10.1107/S1600536812023318. Epub 2012 May 31.

DOI:10.1107/S1600536812023318
PMID:22719684
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3379486/
Abstract

In the crystal of the title compound, C(16)H(17)N(2) (+)·NO(3) (-)·H(2)O, the tetra-methyl-1,10-phenanthrolinium cations, nitrate anions and lattice water mol-ecules are all located on a mirror plane with the methyl H atoms of the cation equally disordered over two sites about the mirror plane. The cation, anion and water mol-ecule are linked by O-H⋯O and N-H⋯O hydrogen bonds into a sheet parallel to the bc plane. π-π stacking between phenanthroline ring systems is observed in the crystal structure, the centroid-centroid distance being 3.4745 (6) Å.

摘要

在标题化合物C(16)H(17)N(2) (+)·NO(3) (-)·H(2)O的晶体中,四甲基-1,10-菲啰啉鎓阳离子、硝酸根阴离子和晶格水分子均位于一个镜面平面上,阳离子的甲基氢原子在镜面平面两侧的两个位置上无序分布。阳离子、阴离子和水分子通过O-H⋯O和N-H⋯O氢键连接成平行于bc平面的片层。在晶体结构中观察到菲啰啉环系之间的π-π堆积,质心间距为3.4745 (6) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83f4/3379486/4e5c07d8273c/e-68-o1931-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83f4/3379486/3b2688717570/e-68-o1931-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83f4/3379486/4e5c07d8273c/e-68-o1931-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83f4/3379486/3b2688717570/e-68-o1931-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/83f4/3379486/4e5c07d8273c/e-68-o1931-fig2.jpg

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