水合双（3,5-二甲基-1H-吡唑-κN）（氧化二乙酸根-κO,O',O''）铜（II）二水合物
Aqua-bis-(3,5-dimethyl-1H-pyrazole-κN)(oxydiacetato-κO,O',O'')copper(II) dihydrate.
作者信息
Wang Yan-Li, Chang Guang-Jun, Liu Bing-Xin
机构信息
Department of Chemistry, Shanghai University, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):m682. doi: 10.1107/S1600536811015169. Epub 2011 May 7.
In the title compound, [Cu(C(4)H(4)O(5))(C(5)H(8)N(2))(2)(H(2)O)]·2H(2)O, the Cu(II) cation assumes a distorted octa-hedral coordination geometry formed by two 3,5-dimethyl-1H-pyrazole ligands, one oxydiacetate (ODA) dianion and one coordinated water mol-ecule. The tridentate ODA ligand chelates to the Cu cation in a facial configuration with a longer Cu-O bond [2.597 (3) Å], and both chelating rings display envelope conformations. In the mol-ecule, the two pyrazole rings are twisted with respect to each other at a dihedral angle of 57.5 (3)°. Extensive inter-molecular O-H⋯O and N-H⋯O hydrogen bonding is present in the crystal structure.
在标题化合物[Cu(C₄H₄O₅)(C₅H₈N₂)₂(H₂O)]·2H₂O中，Cu(II)阳离子具有由两个3,5 - 二甲基 - 1H - 吡唑配体、一个氧化二乙酸根（ODA）二价阴离子和一个配位水分子形成的扭曲八面体配位几何构型。三齿ODA配体以面式构型与Cu阳离子螯合，具有较长的Cu - O键[2.597 (3) Å]，且两个螯合环均呈现信封式构象。在分子中，两个吡唑环彼此扭曲，二面角为57.5 (3)°。晶体结构中存在广泛的分子间O - H⋯O和N - H⋯O氢键。
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