An Zhe, Gao Jing, Harrison William T A
School of Chemistry and Life Science, Guangdong University of Petrochemical Technology, Maoming 525000, People's Republic of China.
Department of Pharmacy, Mudanjiang Medical University, Heilongjiang 157011, People's Republic of China.
Acta Crystallogr E Crystallogr Commun. 2016 Jan 1;72(Pt 1):96-101. doi: 10.1107/S205698901502424X.
The syntheses and crystal structures of 0.25-aqua-(benzene-1,4-di-carboxyl-ato-κ(2) O,O')bis-(sparfloxacin-κ(2) O,O')manganese(II) dihydrate, [Mn(C8H4O4)(C19H22F2N4O3)2(H2O)0.25]·2H2O or [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O, (I), and bis-(sparfloxacin-κ(2) O,O')copper(II) benzene-1,4-di-carboxyl-ate dihydrate, Cu(C19H22F2N4O3)2·2H2O or Cu(Hspar)2·2H2O, (II), are reported (Hspar = sparfloxacin and bdc = benzene-1,4-di-carboxyl-ate). The Mn(2+) ion in (I) is coordinated by two O,O'-bidentate Hspar neutral mol-ecules (which exist as zwitterions) and an O,O'-bidentate bdc dianion to generate a distorted MnO6 trigonal prism. A very long bond [2.580 (12) Å] from the Mn(2+) ion to a 0.25-occupied water mol-ecule projects through a square face of the prism. In (II), the Cu(2+) ion lies on a crystallographic inversion centre and a CuO4 square-planar geometry arises from its coordination by two O,O'-bidentate Hspar mol-ecules. The bdc dianion acts as a counter-ion to the cationic complex and does not bond to the metal ion. The Hspar ligands in both (I) and (II) feature intra-molecular N-H⋯O hydrogen bonds, which close S(6) rings. In the crystals of both (I) and (II), the components are linked by N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, generating three-dimensional networks.
报道了二水合0.25-水合-(苯-1,4-二羧酸根-κ(2) O,O')双-(司帕沙星-κ(2) O,O')锰(II)，[Mn(C₈H₄O₄)(C₁₉H₂₂F₂N₄O₃)₂(H₂O)₀.₂₅]·2H₂O 或 [Mn(bdc)(Hspar)₂(H₂O)₀.₂₅]·2H₂O，(I)，以及二水合双-(司帕沙星-κ(2) O,O')铜(II)苯-1,4-二羧酸盐，Cu(C₁₉H₂₂F₂N₄O₃)₂·2H₂O 或 Cu(Hspar)₂·2H₂O，(II)的合成及晶体结构（Hspar = 司帕沙星，bdc = 苯-1,4-二羧酸盐）。(I) 中的 Mn(2+) 离子由两个 O,O'-双齿 Hspar 中性分子（以两性离子形式存在）和一个 O,O'-双齿 bdc 二价阴离子配位，形成一个扭曲的 MnO₆ 三角棱柱。从 Mn(2+) 离子到一个占据率为 0.25 的水分子的一条很长的键 [2.580 (12) Å] 穿过棱柱的一个正方形面。在 (II) 中，Cu(2+) 离子位于一个晶体学倒转中心，其通过两个 O,O'-双齿 Hspar 分子配位形成一个 CuO₄ 平面正方形几何结构。bdc 二价阴离子作为阳离子配合物的抗衡离子，不与金属离子键合。(I) 和 (II) 中的 Hspar 配体均具有分子内 N-H⋯O 氢键，形成 S(6) 环。在 (I) 和 (II) 的晶体中，各组分通过 N-H⋯O、O-H⋯O 和 C-H⋯O 氢键相连，形成三维网络。
