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2-甲基-4-(p-甲苯基)(a)和2-甲基-4-(p-氯苯基)(b)的-2,3-二氢-(1,5)苯并硫氮杂(艹卓)用X-射线单晶结构分析测定晶体结构,晶体结构由直接法解出.晶体(a)属于三斜空间群c_i~4—p_1~-,晶体胞参数:a=8.860(2),b=10.838(4),c=15.934(4),α=73.12(2),β=86.78(2),γ=79.96(2)°;z=4.对2743个衍射点进行修正,最终的一致性因子R=0.059.晶体(b)属于三斜空间群c_i~1-p_1~-,晶体参数:a=8.884(2),b=10.923(3),c=15.838(4);α=72.38(2),β=85.95(2),γ=79.93(2)°;z=4.对2109个衍射点进行修正,最终的一致性因子R=0.069.晶体(a)和(b)是同晶.在二氢化合物中,硫、氮七员杂环为稍有畸变的船式构型.
2,3-dihydro- (1,5) -benzaldehyde of 2-methyl-4- (p-tolyl) (a) and 2- methyl-4- (p-chlorophenyl) The crystal structure was solved by the direct method. The crystal (a) belongs to the triclinic space group c_i ~ 4-p_1 ~ -, the crystal cell parameters: a = Α = 73.12 (2), β = 86.78 (2), γ = 79.96 (2) °; z = 4 for the diffraction of 2743 diffraction peaks at 8.860 (2), b = 10.838 (B) belongs to the triclinic space group c_i ~ 1-p_1 ~ -, the crystal parameters are: a = 8.884 (2), b = 10.923 (3), c = 15.838 (4) ; α = 72.38 (2), β = 85.95 (2), γ = 79.93 (2) °; z = 4. 2109 diffraction points were corrected with a final concordance factor R = a) and (b) are isomorphic. In the dihydrogen compounds, the sulfur, nitrogen seven-membered heterocycles have a slightly distorted shell configuration.