Synthesis and Crystal Structure of 2-Dehydroabietyl-5-ethylsulfanyl-1,2,3,4-tetrazole

• 作 者: 苏桂发 霍丽妮 黄婉云 王恒山 潘英明
• 机 构: College of Chemistry and Chemical Engineering Key Laboratory for the Chemistry and Molecular Enginee
• 出 处: 结构化学
• 发表日期: 2009年06期
• 关键词: absolute struc orthorhombic disordered rings diffractometer surfactant torsion c

Six novel tetrazoles were designed, synthesized and characterized by NMR and elemental analysis.2-Dehydroabietyl-5-ethylsulfanyl-1,2,3,4-tetrazole(4b), C23H34N4S, was struc-turally determined by single-crystal X-ray diffraction.It crystallizes in the orthorhombic system, space group P212121, with a = 7.391(3), b = 12.580(3), c = 24.036(8) , V = 2234.8(13) 3, Z = 4, Mr = 398.60, Dc = 1.185 g/cm3, μ = 0.160 mm-1, F(000) = 864, the final R = 0.0499 and wR = 0.0638 for 1228 observed reflections with I > 2σ(I).There are four rings in the crystal structure, and C(14) adopts the R absolute configuration.In addition, disordered C(19), C(20), C(21), C(22) and C(23) exist in the crystal structure.

Six novel tetrazoles were designed, synthesized and characterized by NMR and elemental analysis. 2-Dehydroabietyl-5-ethylsulfanyl-1,2,3,4-tetrazole (4b), C23H34N4S, was struc- turally determined by single-crystal X-ray diffraction. It crystallizes in the orthorhombic system space group P212121 with a = 7.391 (3), b = 12.580 (3), c = 24.036 (8) , V = 2234.8 (13) 3, Z = 4, Mr = 398.60, Dc = 1.185 g / cm3, μ = 0.160 mm-1, F (000) = 864, the final R = 0.0499 and wR = 0.0638 for 1228 observed reflections with I> 2σ C (20), C (21), C (22) and C (23) exist in the crystal structure.