Crystal Structure and Conformation of an 2-Amino-1,3-thiazine Derivative  

Crystal Structure and Conformation of an 2-Amino-1,3-thiazine Derivative

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作  者:赵铭钦 邵惠芳 姬小明 

机构地区:[1]College of Agronomy,Henan University of Agriculture

出  处:《Chinese Journal of Structural Chemistry》2008年第10期1240-1244,共5页结构化学(英文)

摘  要:Thiazine sugar derivative 2 was synthesized and characterized by IR, NMR and H RMS, and its crystal structure was determined by X-ray diffraction analysis. The crystal is of monoclinic system (C16H24N2O8S2, Mr = 436.49) with space group P21, a = 10.311(2), b = 9.1198(18), c = 11.623(2)A, β = 109.47(3)°, V= 1030.4(4)A^3, Z= 2, Dc = 1.407 g/cm^3, F(000)= 460, μ= 0.303 mm^-1, the final R = 0.0437 and wR = 0.0561 for 1954 observed reflections (I 〉 2σ(I)). Nine hydrogen bonds were found. The absolute configuration of this molecule was confirmed by comparison with the original material.Thiazine sugar derivative 2 was synthesized and characterized by IR, NMR and H RMS, and its crystal structure was determined by X-ray diffraction analysis. The crystal is of monoclinic system (C16H24N2O8S2, Mr = 436.49) with space group P21, a = 10.311(2), b = 9.1198(18), c = 11.623(2)A, β = 109.47(3)°, V= 1030.4(4)A^3, Z= 2, Dc = 1.407 g/cm^3, F(000)= 460, μ= 0.303 mm^-1, the final R = 0.0437 and wR = 0.0561 for 1954 observed reflections (I 〉 2σ(I)). Nine hydrogen bonds were found. The absolute configuration of this molecule was confirmed by comparison with the original material.

关 键 词:THIAZINE SUGAR synthesis X-ray crystallographic analysis 

分 类 号:O626.42[理学—有机化学]

 

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