Structural Characterization of New Compound from the Ring-Opening Reaction of 3-(1H-1,2,4-triazol-1-yl)-1,5-Benzothiazepine with Phenylonitrile Oxide |
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Authors: | Sheng-Qin Chen Fei Ding Yi-Chao Zhang Fang-Ming Liu |
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Institution: | (1) College of Materials and Chemical Engineering, Hangzhou Normal University, Hangzhou, 310036, People’s Republic of China;(2) Technology Center of Juhua Group, Quzhou, 324004, People’s Republic of China;(3) WuXi PharmaTech Co., Ltd, Shanghai, 200131, People’s Republic of China;(4) College of Chemistry and Chemical Engineering, Xinjiang University, Urumqi, 830046, People’s Republic of China; |
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Abstract: | Abstract The crystal structure of the product (Z)-2-((Z)-((Z)-1,3-diphenyl-2-(1H-1,2,4-triazol-1-yl)allylidene)amino)phenyl N-hydroxybenzimidothioate (4) was obtained by single crystal X-ray diffraction. The title compound, C30H23N5OS (4), crystallizes in the triclinic space group, P-1, with unit cell parameters a = 8.3306(17) ?, b = 11.394(2) ?, c = 14.560(3) ?,
α = 78.75(3)o, β = 89.96(3)o, γ = 70.56(3)o, Z = 2. In the crystal structure, adjacent molecules are linked by O–H···N hydrogen
bonds. H-bonds and π–π stacking are the main non-bonding interactions in the molecular structure and give support to molecular
packing stability. In addition, the structure is supported by a weak intermolecular C–H···Cg π-ring interaction. Detail of
the synthesis, structures, and spectroscopic properties of the title compound is discussed. |
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