THE CRYSTAL AND MOLECULAR-STRUCTURES OF N,N'-DI(2-ACETYLCYCLOHEXENYL)ETHYLENEDIAMINE AND ITS COPPER(II) COMPLEX

被引:8
作者
FERNANDEZ, JN [1 ]
ENRIQUEZ, RG [1 ]
TOBONCERVANTES, A [1 ]
BERNALURUCHURTU, MI [1 ]
VILLENA, R [1 ]
REYNOLDS, WF [1 ]
YANG, JP [1 ]
机构
[1] UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA
来源
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1993年 / 71卷 / 03期
关键词
D O I
10.1139/v93-053
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The crystal structures of N,N'-di(2-acetylcyclohexenyl)ethylenediamine (L1) and its copper(II) complex, which crystallizes with one solvent molecule of chloroform (Cu(L1-2H) - CHCl3), were determined. Crystallographic details are as follows: L1 is monoclinic, space group P2(1)/c, with a = 8.280(2), b = 11.692(2), and c = 9.355(2) angstrom, beta = 114.10(2)-degrees, V = 826.7(3) angstrom3, Z = 2; rho(c) = 1.22 g cm-3, mu(Cu Kalpha) = 5.93 cm-1, with the final residual indices of R = 0.046 and R(w) = 0.070 for 991 unique reflections. Cu(L1-2H) . CHCl3 is triclinic, space group P1BAR, with a = 11.121(3), b = 11.713(3), and c = 8.974(2) angstrom, alpha = 99.35(2)-degrees, beta = 110.83(2)-degrees, gamma = 82.33(2)-degrees, V = 1074(1) angstrom3, Z = 2; rho(c) = 1.50 g cm-3, mu(Cu Kalpha) = 50.74 cm-1, with the final residual indices of R = 0.048 and R(w) = 0.077 for 2369 unique reflections. The X-ray diffraction study shows that in the crystal state the ligand L1 is in the methylketone-cyclohexanonenamine isomeric form. For the copper complex Cu(L1-2H) . CHCl3, the geometry around the metal atom is distorted square planar, and the angle between the chelate ring planes in the complex is 15.1-degrees. An NMR study shows that L1 in solution has the same structure as that observed in the solid state by X-ray diffraction.
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页码:358 / 363
页数:6
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