Mr= 349.4, Pi, a= 12.721 (4), b= 12.909 (4), c= 10.481 (3)A, a=99.31(2), fl= 108.88 (2), 7= 102.64 (2) °, V= 1537.9 (7) Aa, z= 4, D m = 1.52 (aqueous KI), D x = 1.509 gcm -3, CuKa, 2 = 1.5418 A, /t = 21.3 cm -~, F(000) = 728, room temperature, R = 0.057 (3110 non-zero reflections). Two intramolecular hydrogen bonds are formed by internal rotation of the neutral structure. The side chain and the atoms in the thiazine ring are planar.
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