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六水合双(2-氨基-6-甲基吡啶鎓)反式二水双(吡嗪-2,3-二羧酸根)铜(II)

Bis(2-amino-6-methyl-pyridinium) trans-diaqua-bis-(pyrazine-2,3-dicarboxyl-ato)cuprate(II) hexa-hydrate.

作者信息

Eshtiagh-Hosseini Hossein, Hassanpoor Azam, Mirzaei Masoud, Szymańska-Buzar Teresa, Kochel Andrzej

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):m455-6. doi: 10.1107/S1600536811008981. Epub 2011 Mar 15.

Abstract

The title compound, (C(6)H(9)N(2))(2)[Cu(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·6H(2)O, was obtained by the reaction of CuCl(2)·2H(2)O with pyrazine-2,3-dicarb-oxy-lic acid (pyzdcH(2)) and 2-amino-6-methyl-pyridine (2a-6mpy) in aqueous solution. The Cu(II) atom is located on an inversion centre and has an overall octa-hedral coordination environment. Two N and two O atoms from (pyzdc)(2-) ligands define the equatorial plane and two water mol-ecules are in axial positions, resulting in a typical tetra-gonally Jahn-Teller-distorted environment. Extensive classical O-H⋯O, O-H⋯N and N-H⋯O and non-classical C-H⋯O hydrogen bonds, as well as π-π stacking inter-actions between aromatic rings of the cations [centroid-centroid distance = 3.58 (9) Å], lead to the formation of a three-dimensional supra-molecular structure.

摘要

标题化合物(C(6)H(9)N(2))(2)[Cu(C(6)H(2)N(2)O(4))(2)(H(2)O)(2)]·6H(2)O是通过CuCl(2)·2H(2)O与吡嗪 - 2,3 - 二羧酸(pyzdcH(2))和2 - 氨基 - 6 - 甲基吡啶(2a - 6mpy)在水溶液中反应得到的。Cu(II)原子位于一个对称中心上,具有一个整体八面体配位环境。来自(pyzdc)(2-)配体的两个N原子和两个O原子定义了赤道平面,两个水分子处于轴向位置,形成了一个典型的四方 Jahn - Teller 畸变环境。广泛的经典O - H⋯O、O - H⋯N和N - H⋯O以及非经典C - H⋯O氢键,以及阳离子芳香环之间的π - π堆积相互作用(质心 - 质心距离 = 3.58 (9) Å),导致形成三维超分子结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0134/3100057/a7893ef35ec6/e-67-0m455-fig1.jpg

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