水合 -（2,2'-二氨基 - 4,4'-联 - 1,3 - 噻唑 - κN,N）（硫代二乙酸根 - κO,S,O'）镍（II）一水合物
Aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-κN,N)(thio-diacetato-κO,S,O')nickel(II) monohydrate.
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):m681. doi: 10.1107/S1600536811015157. Epub 2011 May 7.
In the title compound, [Ni(C(4)H(4)O(4)S)(C(6)H(6)N(4)S(2))(H(2)O)]·H(2)O, the Ni(II) cation assumes a distorted octa-hedral coordination geometry formed by a diamino-bithia-zole (DABT) ligand, a thio-diacetate (TDA) dianion and a coordinated water mol-ecule. The tridentate TDA chelates to the Ni cation in a facial configuration, and both chelating rings display the envelope conformations. The two thia-zole rings of the DABT ligand are twisted with respect to each other, making a dihedral angle of 9.96 (9)°. Extensive O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonding is present in the crystal structure.
在标题化合物[Ni(C₄H₄O₄S)(C₆H₆N₄S₂)(H₂O)]·H₂O中，Ni(II)阳离子呈现出由二氨基二噻唑（DABT）配体、硫代二乙酸（TDA）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。三齿的TDA以面式构型螯合到Ni阳离子上，且两个螯合环均呈现信封式构象。DABT配体的两个噻唑环相互扭曲，二面角为9.96 (9)°。晶体结构中存在广泛的O—H⋯O、N—H⋯O和弱的C—H⋯O氢键。
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