Cui Yue, Gao Qian, Wang Huan-Huan, Wang Lin, Xie Ya-Bo
College of Environmental and Energy Engineering, Beijing University of Technology, Beijing 100124, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):m782. doi: 10.1107/S1600536811018708. Epub 2011 May 20.
In the title compound, [Cu(C(10)H(5)O(4))(2)(H(2)O)(2)], the Cu(II) atom lies on a crystallographic inversion center and exhibits an octa-hedral coordination defined by two O atoms from water mol-ecules in the axial positions and by four O atoms from two deprotonated coumarin-3-carb-oxy-lic acid ligands in the equatorial positions. The angles around the Cu(II) atom vary between 85.32 (6) and 94.68 (6)°. The Cu-O bond distances between the Cu(II) atom and the O atoms vary between 1.9424 (14) and 2.3229 (15) Å. The layers inter-digitate via face-to-face aromatic inter-actions [3.6490 (8) Å] between coumarin moieties such that the inter-layer separation is 10.460 (2) Å, i.e. the length of the c axis. O-H⋯O hydrogen bonds between the H atoms of coordinated water mol-ecules and the O atoms of carboxyl-ate groups link the complex mol-ecules into layers parallel to the ab plane.
在标题化合物[Cu(C₁₀H₅O₄)₂(H₂O)₂]中，Cu(II)原子位于一个晶体学倒转中心上，呈现出八面体配位构型，轴向位置由来自水分子的两个O原子界定，赤道位置由来自两个去质子化香豆素 - 3 - 羧酸配体的四个O原子界定。围绕Cu(II)原子的角度在85.32 (6)°至94.68 (6)°之间变化。Cu(II)原子与O原子之间的Cu - O键长在1.9424 (14) Å至2.3229 (15) Å之间变化。这些层通过香豆素部分之间的面对面芳香相互作用[3.6490 (8) Å]相互交错，使得层间间距为10.460 (2) Å，即c轴的长度。配位水分子的H原子与羧酸根基团的O原子之间的O - H⋯O氢键将配合物分子连接成平行于ab平面的层。
