Luo Yuan-Yuan
Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):m1703-4. doi: 10.1107/S1600536811045909. Epub 2011 Nov 9.
In the centrosymmetric dinuclear title complex, Cu(2)(N(3))(2)(C(16)H(15)N(5))(2)(H(2)O)(2)(2), the Cu(II) ion is in a distorted octa-hedral coordination environment with long axial Cu-N(azide) [2.821 (6) Å] and Cu-O(water) [2.747 (5) Å] bonds as a result of the Jahn-Teller effect. Two symmetry-related azide ligands bridge in μ(2)-modes giving a Cu⋯Cu distance of 3.533 (2) Å. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds link the components into a three-dimensional network. In addition, there are weak inter-molecular C-H⋯N hydrogen bonds and π-π stacking inter-actions with centroid-centroid distances ranging from 3.562 (2) to 3.974 (2) Å.
在中心对称的双核标题配合物Cu₂(N₃)₂(C₁₆H₁₅N₅)₂(H₂O)₂₂中,由于 Jahn-Teller 效应,Cu(II)离子处于扭曲的八面体配位环境中,具有较长的轴向 Cu-N(叠氮化物)键[2.821 (6) Å]和 Cu-O(水)键[2.747 (5) Å]。两个对称相关的叠氮化物配体以μ₂模式桥连,Cu⋯Cu 距离为 3.533 (2) Å。在晶体中,N-H⋯O 和 O-H⋯O 氢键将各组分连接成三维网络。此外,还存在弱的分子间 C-H⋯N 氢键和π-π堆积相互作用,质心-质心距离范围为 3.562 (2)至 3.974 (2) Å。