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丙烷 -1,3 - 二铵双 -[水·氯·(4 - 羟基吡啶 -2,6 - 二羧酸根 -κO,N,O)汞(II)]四水合物

Propane-1,3-diammonium bis-[aqua-chlorido(4-hydroxy-pyridine-2,6-di-carboxyl-ato-κO,N,O)mercurate(II)] tetra-hydrate.

作者信息

Aghabozorg Hossein, Bagheri Sara, Heidari Mohammad, Ghadermazi Mohammad, Attar Gharamaleki Jafar

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 26;64(Pt 8):m1065-6. doi: 10.1107/S1600536808022897.

DOI:10.1107/S1600536808022897
PMID:21203047
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2961977/
Abstract

The reaction of mercury(II) chloride dihydrate, propane-1,3-diamine and 4-hydroxy-pyridine-2,6-dicarboxylic acid in a 1:1:1 molar ratio in aqueous solution, resulted in the formation of the title compound, (C(3)H(12)N(2))Hg(C(7)H(3)NO(5))Cl(H(2)O)·4H(2)O or (pnH(2))Hg(hypydc)Cl(H(2)O)·4H(2)O (where pn is propane-1,3-diamine and hypydcH(2) is 4-hydroxy-pyridine-2,6-dicarboxylic acid). The metal atom is coordinated by one chloride group, one water mol-ecule cis to the chloride ligand and one (hypydc)(2-) ligand. The coordinated water mol-ecule is almost perpendicular to the plane of the aromatic ring of (hypydc)(2-). The geometry of the resulting HgClNO(3) coordination can be described as distorted square-pyramidal. This structure also contains propane-1,3-diammonium (site symmetry 2) as a counter-ion and four uncoordinated water mol-ecules. There is a wide range of non-covalent inter-actions consisting of hydrogen bonding [of the types O-H⋯O, N-H⋯O and C-H⋯O, with D⋯A ranging from 2.548 (5) to 3.393 (6) Å] and ion pairing.

摘要

二水合氯化汞(II)、1,3 - 丙二胺和4 - 羟基吡啶 - 2,6 - 二羧酸在水溶液中以1:1:1的摩尔比反应,生成了标题化合物(C₃H₁₂N₂)[Hg(C₇H₃NO₅)Cl(H₂O)]₂·4H₂O或(pnH₂)[Hg(hypydc)Cl(H₂O)]₂·4H₂O(其中pn是1,3 - 丙二胺,hypydcH₂是4 - 羟基吡啶 - 2,6 - 二羧酸)。金属原子由一个氯原子、一个与氯配体呈顺式的水分子和一个(hypydc)²⁻配体配位。配位水分子几乎垂直于(hypydc)²⁻的芳环平面。所得HgClNO₃配位的几何构型可描述为扭曲的四方锥。该结构还包含1,3 - 丙二铵(位点对称性2)作为抗衡离子和四个未配位的水分子。存在多种由氢键[O - H⋯O、N - H⋯O和C - H⋯O类型,D⋯A范围为2.548(5)至3.393(6) Å]和离子对组成的非共价相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bdd/2961977/3cce4a8bbd90/e-64-m1065-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bdd/2961977/066c75e27cbd/e-64-m1065-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bdd/2961977/3cce4a8bbd90/e-64-m1065-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bdd/2961977/066c75e27cbd/e-64-m1065-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bdd/2961977/3cce4a8bbd90/e-64-m1065-fig2.jpg

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