بررسی ساختار بلوری 4- (4H-1،2،4-تری آزول-4- ایل) فنل تهیه شده به روش گرمابی
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Abstract:
4-(4H-1,2,4-Triazol-4-yl)phenol (compound I) as a triazol aromatic compound was obtained by the reaction diformylhydrazineand p-aminophenol in dimethylformamide (DMF) under hydrothermal condition. The crystal structure of this compound was determined by FT-IR spectroscopy, NMR, elemental analysis and single crystal X-ray diffraction method. Crystallographic data for I was collected at 298 K. The synthesized compound has been crystallized in orthorhombic system with pbca space group and a = 10.9373(15) Å, b = 7.4539(10) Å, c = 18.530(3) Å, Z = 8. The crystal structure was solved by direct methods and refined by full-matrix least squares to final values of R1 = 0.0682 and wR2 = 0.1361 with 1328 reflections. There are various types of supramolecular interactions including hydrogen bonding and π-π stacking in the crystal structure of I. These interactions play important role in the expansion of 3D network of compound I.
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Journal title
volume 24 issue 3
pages 581- 586
publication date 2016-10
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