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三水合（6-羧基吡啶-2-羧酸根）（吡啶-2,6-二羧酸根）铜（II）3,5-二氨基-4H-1,2,4-三唑鎓

3,5-Diamino-4H-1,2,4-triazol-1-ium (6-carb-oxy-pyridine-2-carboxyl-ato)(pyridine-2,6-dicarboxyl-ato)cuprate(II) trihydrate.

作者信息

Yousuf S, Johnson A S, Kazmi S A, Offiong O E, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):m509-10. doi: 10.1107/S1600536811011147. Epub 2011 Mar 31.

DOI:10.1107/S1600536811011147
PMID:21754014
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3099907/
Abstract

In the complex anion of the title compound, (C(2)H(6)N(5))[Cu(C(7)H(4)NO(4))(C(7)H(3)NO(4))]·3H(2)O, the Cu(II) atom is coordinated by tridentate 6-carb-oxy-pyridine-2-carboxyl-ate and pyridine-2,6-dicarboxyl-ate ligands and is surrounded by four O atoms in the equatorial plane and two N atoms in axial positions in a distorted octa-hedral geometry. In the crystal, the components are linked into a three dimensional network by O-H⋯O, N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds and a π-π inter-action with a centroid-centroid distance of 3.6080 (8) Å.

摘要

在标题化合物（C₂H₆N₅）[Cu（C₇H₄NO₄）（C₇H₃NO₄）]·3H₂O的复合阴离子中，Cu（II）原子由三齿的6 - 羧基吡啶 - 2 - 羧酸根和吡啶 - 2,6 - 二羧酸根配体配位，在扭曲的八面体几何构型中，其赤道平面被四个O原子包围，轴向位置被两个N原子包围。在晶体中，各组分通过O - H⋯O、N - H⋯O、N - H⋯N和C - H⋯O氢键以及质心 - 质心距离为3.6080（8）Å的π - π相互作用连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28b3/3099907/0b9c8fb85b39/e-67-0m509-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28b3/3099907/b8dbc631bc92/e-67-0m509-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28b3/3099907/0b9c8fb85b39/e-67-0m509-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28b3/3099907/b8dbc631bc92/e-67-0m509-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28b3/3099907/0b9c8fb85b39/e-67-0m509-fig2.jpg

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