Synthesis, spectroscopic studies and ab-initio structure determination from X-ray powder diffraction of bis-(N-3-acetophenylsalicylaidiminato)copper(II)

被引：4

作者：

Banerjee, S ^{[1
]}

Mukherjee, AK

Banerjee, I

De, RL

Neumann, MA

Louer, D

机构：

[1] Jadavpur Univ, Dept Phys, Kolkata 700032, W Bengal, India

[2] Jadavpur Univ, Dept Chem, Kolkata 700032, W Bengal, India

[3] Accelrys Ltd, Cambridge CB5 8RE, England

[4] Univ Rennes 1, CNRS, UMR 6511, Chim Solide & Inorgan Mol Lab, F-35042 Rennes, France

来源：

CRYSTAL RESEARCH AND TECHNOLOGY | 2005年 / 40卷 / 08期

关键词：

direct space structure solution; Rietveld refinement; Schiff-base copper(II) complex; synthesis; spectral studies; X-ray powder diffraction;

D O I：

10.1002/crat.200410437

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The synthesis, spectroscopic studies and crystal structure determination from X-ray powder diffraction have been carried out for bis-(N-3-acetophenylsalicylaldiminato)copper(II). The structure is triclinic, space group P (l) over bar with unit cell dimensions a=11.817(1)angstrom, b=12.087(1)angstrom, c=9.210(1)A, alpha=102.62(1)degrees, beta=111.16(1)degrees, gamma=86.15(1)degrees, V=1197.0(2)angstrom(3), Z=2. The structure has been solved by Monte Carlo simulated annealing approach and refined by GSAS package. The final Rp value was 8.68%. The coordination geometry around the copper atom in the complex is intermediate between square-planar and tetrahedral with two salicylaldimine ligands in trans arrangement. Intermolecular C-(HO)-O-.... hydrogen bonds between molecules related by translation generate infinite chains along [010] direction. The molecular chains are linked via additional C-(HO)-O-.... hydrogen bonds to form a three-dimensional supramolecular network. (c) 2005 WILEY-VCH Vertag GmbH & Co. KGaA, Weinheim.

引用

页码：815 / 821

页数：7

共 50 条

[1] TECHNIQUES FOR AB-INITIO STRUCTURE DETERMINATION FROM X-RAY-POWDER DIFFRACTION DATA
RUDOLF, PR
[J]. MATERIALS CHEMISTRY AND PHYSICS, 1993, 35 (3-4) : 267 - 272
[2] Ab initio structure determination via powder X-ray diffraction
Digamber G. Porob
T. N. Guru Row
[J]. Journal of Chemical Sciences, 2001, 113 (5-6) : 435 - 444
[3] Ab initio structure determination via powder X-ray diffraction
Porob, DG
Row, TNG
[J]. PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES, 2001, 113 (5-6): : 435 - 444
[4] Ab initio structure determination of phase II of racemic ibuprofen by X-ray powder diffraction
Derollez, Patrick
Dudognon, Emeline
Affouard, Frederic
Danede, Florence
Correia, Natalia T.
Descamps, Marc
[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2010, 66 : 76 - 80
[5] AB-INITIO STRUCTURE DETERMINATION OF LiBi3V2O10 BY POWDER X-RAY DIFFRACTION
Porob, D.
Row, T. N. Guru
[J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2002, 58 : C266 - C266
[6] Ab initio structure determination of a peptide β-turn from powder X-ray diffraction data
Tedesco, E
Harris, KDM
Johnston, RL
Turner, GW
Raja, KMP
Balaram, P
[J]. CHEMICAL COMMUNICATIONS, 2001, (16) : 1460 - +
[7] Ab-initio determination of the incommensurate modulated structure of Bi-2212 from x-ray powder diffraction data -: a simulation
Chen, JR
Gu, YX
Zheng, CD
Fan, HF
[J]. CHINESE PHYSICS, 2003, 12 (11): : 1261 - 1265
[8] AB INITIO STRUCTURE DETERMINATION OF A Cu(II)-SCHIFF BASE COMPLEX FROM X-RAY POWDER DIFFRACTION DATA
Banerjee, S.
Mukherjee, A. K.
Neumann, M. A.
Louer, D.
[J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2002, 58 : C264 - C264
[9] Ab initio structure determination of triphenyl phosphite by powder synchrotron X-ray diffraction
Hernandez, O
Hédoux, A
Lefebvre, J
Guinet, Y
Descamps, M
Papoular, R
Masson, O
[J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2002, 35 : 212 - 219
[10] Ab initio structure determination of m-toluidine by powder X-ray diffraction
Rukiah, M
Lefebvre, J
Descamps, M
Hemon, S
Dzyabchenko, A
[J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2004, 37 : 464 - 471

← 1 2 3 4 5 →