A New Zn(II) Azido Complex of L-Arginine: X-ray Crystal Structure, Hirshfeld, and AIM Studies

被引:5
作者
Altowyan, Mezna Saleh [1 ]
Yousri, Amal [2 ]
Albering, Jorg H. [3 ]
Fischer, Roland C. [3 ]
Abu-Youssef, Morsy A. M. [2 ]
Ayoup, Mohammed Salah [2 ]
Barakat, Assem [4 ]
Soliman, Saied M. [2 ]
机构
[1] Princess Nourah Bint Abdulrahman Univ, Coll Sci, Dept Chem, POB 84428, Riyadh 11671, Saudi Arabia
[2] Alexandria Univ, Fac Sci, Dept Chem, POB 426, Alexandria 21321, Egypt
[3] Graz Univ Technol, Mandellstr 11-III, A-8010 Graz, Austria
[4] King Saud Univ, Coll Sci, Dept Chem, POB 2455, Riyadh 11451, Saudi Arabia
关键词
X-ray crystal structure; Zn(II); L-arginine; Hirshfeld; AIM; SCHIFF-BASE; NICKEL(II) COMPLEXES; MAGNETIC-PROPERTIES; MU-AZIDO; COORDINATION-COMPOUNDS; DFT CALCULATIONS; AMINO-ACID; COPPER(II); LIGANDS; EXCHANGE;
D O I
10.3390/cryst13091375
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The synthesis and X-ray crystal structure analyses of the azido complex [Zn(N3)(Arg)2](N3)& BULL;3H2O, where Arg is L-arginine, were presented. The molecular structure of the complex was further studied using FT-IR spectra as well as atoms in molecules (AIM) theory. An analysis of the crystal data indicated monoclinic crystal system and P21 space group with a = 13.0283(5) & ANGS;, b = 15.2032(7) & ANGS;, c = 13.3633(6) & ANGS;, & beta; = 114.3580(10)& DEG;, V = 2411.28(18) & ANGS;3, and Z = 4. Two of the [Zn(N3)(Arg)2](N3)& BULL;3H2O formulae represent the asymmetric unit of this complex where the geometric parameters of both units are slightly different. In [Zn(N3)(Arg)2](N3)& BULL;3H2O, the central Zn(II) ion is penta-coordinated with two Arg molecules as a bidentate ligand and one terminally coordinated azide ion. Each of the two Arg molecules are located trans to one another and coordinated with the Zn(II) via the N and O atoms of the amino and carboxylate groups, respectively. Hence, Zn(II) is five-coordinated and has a distorted square pyramidal coordination geometry. The supramolecular structure of the [Zn(N3)(Arg)2](N3)& BULL;3H2O complex was inspected using the Hirshfeld analysis. The O & BULL;& BULL;& BULL;H (26.6-28.4%), H & BULL;& BULL;& BULL;H (32.3-35.3%), and N & BULL;& BULL;& BULL;H (30.4-34.0%) contacts are the most significant interactions in the crystal structure of the [Zn(N3)(Arg)2](N3)& BULL;3H2O complex. The Zn-N, and Zn-O bonds have slight covalent interactions based on the AIM study.
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页数:16
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