3-Phenyl-4-(prop-2-en-1-yl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole
نویسندگان
چکیده
1,2,4-Triazoles appear to be attractive substances due their wide range of applications. Previously 3-phenyl-4-(prop-2-en-1-yl)-5-[(prop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazole (Atr) has proven an effective precursor for us prepare Cu(I)-π,σ-coordination compounds with nonlinear optical and magnetic properties. In this study, we present the structural characterization Atr by a single-crystal X-ray diffraction method. The crystals are monoclinic, Sp.gr. P21, Z = 2, unit cell dimensions: 5.6967(3), b 7.8045(3), c 14.9327(7) Å, β 91.113(4)°, V 663.78(5) Å3 at 150 K. To analyze intermolecular interactions in crystal structure Atr, DFT computational study was also performed.
منابع مشابه
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ژورنال
عنوان ژورنال: Molbank
سال: 2022
ISSN: ['1422-8599']
DOI: https://doi.org/10.3390/m1405