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Structure of potassium thiosaccharinate monohydrate

K[C7H4NO2S2].H2O, Mr = 255¡¤36, orthorhombic, Pbca, a = 8¡¤873 (1), b = 27¡¤108 (6), c = 8¡¤708 (1) A, V = 2094¡¤5 A3, Z = 8, Dx – 1¡¤62 Mg m-3, lambda(Mo Kalpha) = 0¡¤71069 A, mu = 0¡¤81 mm -1, F(000)= 1032, room temperature, final R = 0¡¤032 for 1801 observed unique reflections. The structure is built up of K + cations, thiosaccharinate anions and water molecules. The K + ion is six coordinated to two water O atoms, three O atoms from the SO2 groups and one N atom from the thiosaccharinate ion. The K – O distances range from 2¡¤722 (3) to 3¡¤158 (3)A, while the K – N distance is 2¡¤825 (2) A. The coordination polyhedron is irregular.

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Reference£º
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com