论文部分内容阅读
The title compound, 4-tert-butyl-6-(4-chlorophenyl)-3,6-dihydro-2H-1,3-thiazin- 2-iminium chloride (C14H18Cl2N2S), has been synthesized by the reaction of 1-(4-chlorophenyl)- 4,4-dimethylpent-1-en-3-one with thiourea, and its crystal structure was determined by single- crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/c with a = 16.3064(11), b = 9.4471(6), c = 11.2626 (8) , β = 108.400(1)°, Z = 4, V = 1646.28(19) 3, Mr = 317.26, Dc = 1.280 g/cm3, S = 1.078, μ = 0.510 mm–1, F(000) = 664, the final R = 0.0514 and wR = 0.1412 for 3210 observed reflections (I > 2σ(I)). The thiazine ring system displays a twisted boat conformation, and three N–H···Cl hydrogen bonds exist in the crystal. The combination of two N–H···Cl hydrogen bonds generate an R21 (6) ring.
The title compound, has been synthesized by the reaction of l- (4-chlorophenyl) -3,6-dihydro-2H-l, 3-thiazin- 2-iminium chloride (C14H18Cl2N2S) 4-chlorophenyl) -4,4-dimethylpent-1-en-3-one with thiourea, and its crystal structure was determined by single- crystal X- ray diffraction. The crystal belongs to the monoclinic system, space group P21 / c with b = 9.4471 (6), c = 11.2626 (8) β, β = 108.400 (1) °, Z = 4, V = 1646.28 (19) 3, Mr = 317.26, Dc = 1.280 The final R = 0.0514 and wR = 0.1412 for 3210 observed reflections (I> 2σ (I)). The thiazine ring system displays a Twisted boat conformation, and three N-H ··· Cl hydrogen bonds exist in the crystal. The combination of two N-H ··· Cl hydrogen bonds generate an R21 (6) ring.