Jiang Zhengjing, Tang Guodong, Lu Lude
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 25;64(Pt 7):m958-9. doi: 10.1107/S1600536808018473.
In the title compound, hexa-μ(2)-bromido-μ(4)-oxo-tetra-kis{[3-(1-methyl-2-pyrrolidin-yl)pyridine-κN]copper(II)}, [Cu(4)Br(6)O(C(10)H(14)N(2))(4)], the four Cu atoms are tetra-hedrally arranged around the O atom at the cluster center. The Cu and coordinated N atoms lie along directions which correspond to four of the eight threefold axial directions of a regular octa-hedron. Each Cu atom lies at the center of a trigonal bipyramid, with the O atom and the pyridine N atom of a nicotine ligand in the axial positions and three Br atoms in the equatorial positions. Average bond distances are: Cu-N = 1.979 (8), Cu-O = 1.931 (6), Cu-Br = 2.514 (14) and Cu⋯Cu = 3.154 (6) ÅÅ. The configuration of the nicotine ligands is that of the trans diastereomer. In addition, the crystal structure contains five intra-molecular C-H⋯Br hydrogen bonds, which determine (or support) the orientation of the nicotine mol-ecules relative to their three equatorial Br atoms. One of the nicotine mol-ecules has two C-H⋯Br contacts, while the other three nicotine mol-ecules show only one C-H⋯Br bond each. Two other inter-molecular C-H⋯Br hydrogen bonds connect the complex mol-ecules, forming ribbons which extend in the b- and c-axis directions.
在标题化合物六-μ(2)-溴-μ(4)-氧代-四-κ{[3-(1-甲基-2-吡咯烷基)吡啶-κN]铜(II)}，[Cu₄Br₆O(C₁₀H₁₄N₂)₄]中，四个铜原子围绕簇中心的氧原子呈四面体排列。铜原子和配位的氮原子沿着与正八面体八个三重轴方向中的四个相对应的方向排列。每个铜原子位于一个三角双锥的中心，氧原子和尼古丁配体的吡啶氮原子处于轴向位置，三个溴原子处于赤道位置。平均键长为：Cu-N = 1.979 (8) Å、Cu-O = 1.931 (6) Å、Cu-Br = 2.514 (14) Å以及Cu⋯Cu = 3.154 (6) Å。尼古丁配体的构型为反式非对映异构体。此外，晶体结构包含五个分子内C-H⋯Br氢键，它们决定（或支持）了尼古丁分子相对于其三个赤道溴原子的取向。其中一个尼古丁分子有两个C-H⋯Br接触，而其他三个尼古丁分子各自仅显示一个C-H⋯Br键。另外两个分子间C-H⋯Br氢键连接复合分子，形成在b轴和c轴方向上延伸的带状结构。
