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Synthesis and Crystal Structure of Compound 1,5-bis(4-methoxyphenyl)-3a-(2-phenyl-2H-1,2,3-triazol-4-yl)-4,5-dihydro-3aH-benzo[b][1,2,4]oxadiazolo[4,5-d][1,4]thiazepine
Authors:De-Bao Yang  Fang-Ming Liu  Feng Xu  Chun Yang
Institution:(1) College of Materials and Chemical Engineering, Hangzhou Normal University, Hangzhou, 310036, P.R China;(2) College of Chemistry and Chemical Engineering, Xinjiang University, Wulumuqi, 830046, P.R. China
Abstract:Abstract The crystal structure of title compound has been determined. The compound crystallizes in the triclinic system with space group P-1, lattice parameters; a = 9.2938 (5) ?, b = 11.9992 (7) ?, c = 25.5918 (13) ?, α = 91.343 (2)°, β = 95.8360 (10)°, γ = 101.005 (2)°, V = 2784.3 (3) ?3, Z = 4, X-Ray analysis reveals that the molecular backbone consists of tricyclic system with the central seven-membered ring in twisted chair-like conformation. Graphical abstract The crystal structure of 1,5-bis(4-methoxyphenyl)-3a-(2-phenyl-2H-1,2,3-triazol-4-yl)-4,5-dihydro-3aH-benzob]1,2,4]oxadiazolo4,5-d]1,4]thiazepine was first determined by single-crystal X-ray diffraction which reveals that the molecular backbone consists of a tricyclic system with the central seven-membered ring in twisted chair-like conformation MediaObjects/10870_2007_9269_Figa_HTML.gif.
Keywords:1  5-Benzothiazepine  2-Phenyl-1  2  3-triazole  1  2  4-Oxadiazole  Crystal structure
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