二水合双{5-羧基-2-[(1H-1,2,4-三唑-1-基)甲基]-1H-咪唑-4-羧酸根合}-锰(II)
Diaqua-bis{5-carboxy-2-[(1H-1,2,4-triazol-1-yl)-meth-yl]-1H-imidazole-4-carboxyl-ato}-manganese(II).
作者信息
Ding De-Gang, Tong Yan
机构信息
Department of Quality Examination and Management, Zhengzhou College of Animal Husbandry Engineering, Zhengzhou, Henan 450011, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 10;66(Pt 5):m517. doi: 10.1107/S1600536810012626.
In the title compound, [Mn(C(8)H(6)N(5)O(4))(2)(H(2)O)(2)], the Mn(II) ion is situated on an inversion center and is six-coordinated by two N and two O atoms from two L ligands (HL = 2-[(1H-1,2,4-triazol-1-yl)meth-yl]-1H-imidazole-4,5-dicarboxylic acid) and two water mol-ecules in a distorted octa-hedral geometry. In ligand L, the imidazole and triazole rings form a dihedral angle of 74.25 (8)°. Mol-ecules are assembled into a three-dimensional structure via inter-molecular O-H⋯O, O-H⋯N and N-H⋯N hydrogen-bonds, and π-π inter-actions with a short distance of 3.665 (2) Å between the centroids of the imidazole and triazole rings of neighbouring mol-ecules.
在标题化合物[Mn(C₈H₆N₅O₄)₂(H₂O)₂]中，Mn(II)离子位于一个对称中心上，由来自两个L配体（HL = 2-[(1H-1,2,4-三唑-1-基)甲基]-1H-咪唑-4,5-二羧酸）的两个N原子和两个O原子以及两个水分子以扭曲的八面体几何构型进行六配位。在配体L中，咪唑环和三唑环形成的二面角为74.25 (8)°。分子通过分子间的O—H⋯O、O—H⋯N和N—H⋯N氢键以及π-π相互作用组装成三维结构，相邻分子的咪唑环和三唑环的质心之间的短距离为3.665 (2) Å。
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