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

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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) ?, β = 109.47(3)°, V = 1030.4(4) ?3, Z = 2, Dc = 1.407 g/cm3, 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.
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