The crystal structure and conformational analysis of N,N′-bis(5-bromo-2-hydroxybenzylidene)ethylenediamine

被引：9

作者：

Ünaleroglu, C ^{[1
]}

Hökelek, T

机构：

[1] Hacettepe Univ, Dept Chem, TR-06532 Ankara, Turkey

[2] Hacettepe Univ, Dept Phys, TR-06532 Ankara, Turkey

来源：

SPECTROSCOPY LETTERS | 2002年 / 35卷 / 02期

关键词：

N; '-bis(5-bromo-2-hydroxybenzylidene)ethylenediamine; imine; X-ray structure; conformation;

D O I：

10.1081/SL-120003816

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

The Schiff base ligand, [C16H14N2O2Br2], has been synthesized and its crystal structure has been investigated by X-ray analysis and PM3 method. The compound crystallizes in monoclinic space group P2(1)/a with a = 6.119(4), b = 7.179(8), c = 18.124(8) Angstrom, beta = 93.56(4)degrees, V = 794.6(1) Angstrom(-3), Z = 2 and D-calc = 1.781 Mg In. In the crystal structure of the free Schiff base ligand, the existence of a strong intramolecular O-H...N hydrogen bonding [O1-H1 0.82(9), H1...N1 1.834(8), O1...N1 2.613(8) Angstrom, [O1-H1 0.82(9), H1...N1 1.834(8), O1...N1 2.613(8)... Angstrom, [O1-H1...N1 157.3(7)degrees] is observed. The Cequivalent toN imine bond and C-N-C bond angle are 1.259(8) Angstrom and 119.1(5)degrees, respectively. The energy profile of the compound was calculated by PM3 method as a function of q[N1'-C8'-C8-N1].

引用

页码：317 / 326

页数：10

共 33 条

[1] STRUCTURES OF THE SCHIFF-BASE LIGANDS 1-[(1-ADAMANTYLAMINO)METHYLENE]-2(1H)-NAPHTHALENONE (1) AND 1-[(2-ADAMANTYLAMINO)METHYLENE]-2(1H)-NAPHTHALENONE (2), AND THEIR CORRESPONDING COPPER(II) COMPLEXES [J].