SYNTHESIS, CRYSTAL STRUCTURE, HIRSHFELD SURFACE ANALYSIS, SUPRAMOLECULAR AND COMPUTATIONAL INVESTIGATION OF THE (E)-4-METHOXY-2-(((2-METHOXY-5-(TRIFLUOROMETHYL) PHENYL)IMINO) METHYL)PHENOL COMPOUND

被引:1
作者
Ozsanli, H. [1 ]
Simsek, O. [1 ]
Yilmaz, O. R. [1 ,2 ]
Cicek, C. [3 ]
Agar, E. [3 ]
Coruh, U. [1 ]
Vazquez-Lopez, E. M. [4 ]
机构
[1] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Phys, Atakum, Samsun, Turkiye
[2] Sinop Univ, Fac Sci, Dept Phys, Sinop, Turkiye
[3] Ondokuz Mayis Univ, Fac Sci, Dept Chem, Atakum, Samsun, Turkiye
[4] Univ Vigo, Dept Quim Inorgan, Fac Quim, Vigo, Spain
关键词
Schiff base; X-ray diffraction method; Hirshfeld surface analysis; supramolecular geometric properties; interaction energy and energy frameworks; SCHIFF-BASES; CRYSTALEXPLORER; DERIVATIVES;
D O I
10.1134/S0022476624050081
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Crystallographic features of the synthesized compound (E)-4-methoxy-2-(((2-methoxy-5-(trifluoromethyl) phenyl)imino)methyl)phenol are investigated with the Hirshfeld surface analysis and X-ray diffraction (XRD). The stability of the crystal packing primarily stems from N-H center dot center dot center dot O and C-H center dot center dot center dot O bonding interactions, further fortified by offset pi center dot center dot center dot pi stacking interactions. To delve into the supramolecular arrangement, the Hirshfeld surface analysis is conducted, shedding light on the intricacies of the crystal packing. The structure of the synthesized compound is determined through the single crystal XRD analysis, revealing its crystallization within the triclinic crystal system, space group P (1) over bar. The supramolecular assembly is explored by the Hirshfeld surface analysis, and the supramolecular geometric features of the title compound involve the compact arrangement of title molecules with each other. The dispersion energy properties are examined through studies on the interaction energy and energy frameworks.
引用
收藏
页码:946 / 957
页数:12
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