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链状聚[[二水合铷(I)](μ(2)-3-羧基-吡嗪-2-羧基)(μ(2)-吡嗪-2,3-二羧酸)]

catena-Poly[[diaqua-rubidium(I)](μ(2)-3-carboxy-pyrazine-2-carboxyl-ato)(μ(2)-pyrazine-2,3-dicarboxylic acid)].

作者信息

Tombul Mustafa, Guven Kutalmis

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 23;65(Pt 2):m213-4. doi: 10.1107/S1600536809002001.

Abstract

The structural unit of the title compound, Rb(C(6)H(3)N(2)O(4))(C(6)H(4)N(2)O(4))(H(2)O)(2), consists of one rubidium cation, one hydrogen pyrazine-2,3-dicarboxyl-ate anion, one pyrazine-2,3-dicarboxylic acid mol-ecule and two water mol-ecules. This formulation is repeated twice in the asymmetric unit as the rubidium cation lies on an inversion centre. Each anion or acid mol-ecule is linked to two rubidium cations, while the rubidium cation has close contacts to four symmetry-equivalent organic ligands, with two different coordination modes towards this cation. In addition, each rubidium cation is coordinated by two water O atoms, raising the coordination number to eight. One of the carboxyl groups of the acid holds its H atom, which forms a hydrogen bond to a coordinated water mol-ecule. The other carboxyl group is deprotonated in half of the ligands and protonated in the other half, taking part in a strong O-H⋯O hydrogen bond disordered over an inversion centre. The stabil-ization of the crystal structure is further assisted by O-H⋯O and O-H⋯N hydrogen-bonding inter-actions involving the water mol-ecules and carboxyl-ate O atoms.

摘要

标题化合物[Rb(C₆H₃N₂O₄)(C₆H₄N₂O₄)(H₂O)₂]ₙ的结构单元由一个铷阳离子、一个氢吡嗪 - 2,3 - 二羧酸盐阴离子、一个吡嗪 - 2,3 - 二羧酸分子和两个水分子组成。由于铷阳离子位于一个对称中心上,这种结构单元在不对称单元中重复出现两次。每个阴离子或酸分子与两个铷阳离子相连,而铷阳离子与四个对称等效的有机配体有紧密接触,对该阳离子有两种不同的配位模式。此外,每个铷阳离子由两个水分子的氧原子配位,使其配位数达到八。酸的一个羧基保留其氢原子,该氢原子与一个配位水分子形成氢键。另一个羧基在一半的配体中去质子化,在另一半中质子化,参与一个在对称中心上无序的强O - H⋯O氢键。晶体结构的稳定性还通过涉及水分子和羧酸盐氧原子的O - H⋯O和O - H⋯N氢键相互作用得到进一步辅助。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af0c/2968173/3efe7aded02d/e-65-0m213-fig1.jpg

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