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二水合双(吡啶-2,6-二羧酸根-κO,N,O')镍酸(II)丙烷-1,2-二铵

Propane-1,2-diammonium bis-(pyridine-2,6-dicarboxyl-ato-κO,N,O')nickelate(II) tetra-hydrate.

作者信息

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

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 7;64(Pt 7):m874-5. doi: 10.1107/S1600536808016309.

Abstract

The reaction of nickel(II) nitrate hexa-hydrate, propane-1,2-diamine and pyridine-2,6-dicarboxylic acid in a 1:2:2 molar ratio in aqueous solution resulted in the formation of the title compound, (C(3)H(12)N(2))[Ni(C(7)H(3)NO(4))(2)]·4H(2)O or (p-1,2-daH(2))[Ni(pydc)(2)]·4H(2)O (where p-1,2-da is propane-1,2-diamine and pydcH(2) is pyridine-2,6-dicarboxylic acid). The geometry of the resulting NiN(2)O(4) coordination can be described as distorted octa-hedral. Considerable C=O⋯π stacking inter-actions are observed between the carboxyl-ate C=O groups and the pyridine rings of the (pydc)(2-) fragments, with O⋯π distances of 3.1563 (12) and 3.2523 (12) Å and C=O⋯π angles of 95.14 (8) and 94.64 (8)°. In the crystal structure, a wide range of non-covalent inter-actions, consisting of hydrogen bonding [O-H⋯O, N-H⋯O and C-H⋯O, with D⋯A distances ranging from 2.712 (2) to 3.484 (2) Å], ion pairing, π-π [centroid-to-centroid distance = 3.4825 (8) Å] and C=O⋯π stacking, connect the various components to form a supra-molecular structure.

摘要

硝酸镍(II)六水合物、1,2 - 丙二胺和2,6 - 吡啶二甲酸在水溶液中以1:2:2的摩尔比反应,生成了标题化合物(C₃H₁₂N₂)[Ni(C₇H₃NO₄)₂]·4H₂O或(p - 1,2 - daH₂)[Ni(pydc)₂]·4H₂O(其中p - 1,2 - da是1,2 - 丙二胺,pydcH₂是2,6 - 吡啶二甲酸)。所得NiN₂O₄配位的几何构型可描述为扭曲八面体。在(pydc)²⁻片段的羧酸根C = O基团与吡啶环之间观察到显著的C = O⋯π堆积相互作用,O⋯π距离为3.1563(12)和3.2523(12)Å,C = O⋯π角度为95.14(8)和94.64(8)°。在晶体结构中,由氢键[O - H⋯O、N - H⋯O和C - H⋯O,D⋯A距离范围为2.712(2)至3.484(2)Å]、离子对、π - π[质心到质心距离 = 3.4825(8)Å]和C = O⋯π堆积组成的广泛非共价相互作用将各种组分连接起来形成超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8c10/2961796/1d2f2a3da646/e-64-0m874-fig1.jpg

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