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化学学报
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化学学报 ›› 1987, Vol. 45 ›› Issue (5): 421-425.    下一篇

研究论文

双[N-(R)-α-甲苄基水杨醛亚氨基]铜(II)配合物的晶体结构和分子结构

李根培;杨清传;唐有祺;关烨娣;尚振海   

  1. 北京大学物理化学研究所;北京大学化学系
  • 发布日期:1987-05-15

The crystal and molecular structure of bis[N-(R)-\a\-methylbenzyl salicylaldiminato]copper(II) complex

LI GENPEI;YANG QINGCHUAN;TANG YOUQI;GUAN YEDI;SHANG ZHENHAI   

  • Published:1987-05-15

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报道标题Schiff碱铜(II)配合物的制备和晶体结构的测定.该晶体属正交晶系,空间群为p2~12~12~1,晶胞参数为α=0.8844(2),b=1.6286(4),c=1.7751(5)nm,V=2.5568(2)nm[3],Z=4,Dx=1.33g.cm[-3],F(000)=1068e,μ=9.2cm[-1](MoKα).用Patterson法和Fourier合成法解出结构,经最小二乘法修正,最终偏离因子R值为5.8%.结构分析结果表明,分子中Cu(II)呈畸变的四面体配位.两个配位平面CuN(1)O(1)禁CuN(2)O(2)之间夹角为39.3度.两个水杨醛亚氨基N上的α-甲苄基彼此相互垂直并在CuN(1)O(1)N(2)O(2)的近似平面的同一侧.它们又与各自的水杨醛亚氨基平面几乎垂直.

关键词: 苯酚 P, 晶体结构测定, 分子结构, 晶胞, 铜络合物, 过渡金属络合物, 消旋体拆分, 席夫碱, 苯甲胺 P, 最小二乘法

The title complex is orthorhombic, space group P212121, with a 0.8844(2), b 1.6286(4), and c 1.7751(5) nm; dc = 1.33 for Z = 4. Final R = 5.8% (Rw = 4.7%) for 2604 reflections. Atomic coordinates are given. The Cu environment of the complex is a distorted tetrahedral conformation. The angle between the plane defined by the N(1)-Cu-O(1) and N(2)-Cu-O(2) groups is ~39.3? The a-methylbenzyl groups point to the same side of the approx. Cu,N(1),O(1),N(2),O(2) ligand plane (cis), and they are roughly perpendicular to the remainder of the mol. and roughly perpendicular to each other.

Key words: PHENOL P, CRYSTAL STRUCTURE DETERMINATION, MOLECULAR STRUCTURE, UNIT CELL, COPPER COMPLEX, TRANSITION METAL COMPLEX, MESOTOMY, SCHIFF BASE, BENZENEMETHANAMINE P, LEAST SQUARE METHODS

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