Synthesis, Characterization, Crystal Structure, and DFT Study of a New Square Planar Cu(II) Complex Containing Bulky Adamantane Ligand

被引：15
|
作者：
Khanfar, Monther A. [1 ]
Jaber, Areej M. [1 ]
AlDamen, Murad A. [1 ]
Al-Qawasmeh, Raed A. [1 ]
机构：
[1] Univ Jordan, Fac Sci, Dept Chem, Amman 11942, Jordan
来源：
MOLECULES | 2018年 / 23卷 / 03期
关键词：
2-furyl adamantanhydrazone; hydrazone complexes; square planar copper(II) complex; DFT; ANTIMICROBIAL ACTIVITY; BIOLOGICAL-ACTIVITIES; COPPER-COMPLEXES; ACID HYDRAZIDE; DNA CLEAVAGE; DERIVATIVES; HYDRAZONES; APOPTOSIS;
D O I：
10.3390/molecules23030701
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
A copper complex with square planar geometry, [(L)CuBr2] (1), (L = N'-(furan-2-ylmethylene)adamantne-1-carbohydrazide) has been synthesized and characterized by Fourier transfer infrared (FTIR) spectroscopy, elemental analysis, mass spectrometry, and single crystal X-ray diffraction. The crystal of 1 is solved as monoclinic, space group P2(1) /m with unit cell parameters: a = 10.8030(8), b = 6.6115(8), c = 12.1264(12) angstrom, p = 101.124(8)degrees, V = 849.84(15) angstrom(3) , Z = 2, and R-1 = 0.0751 with wR(2) = 0.1581 (I > 2 sigma). The structure of 1 shows intramolecular hydrogen bonding between the N-H and the furan oxygen which stabilizes the configuration of the complex. Furthermore, inside the lattice there are other weak interactions between bromo ligands and the ligand L. DFT calculations where performed to study the stability of this geometry.
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页数：9
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