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cis-(+)-3-Acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-1-oxide was synthesized and the crystal structure was determined at room temperature. The compound crystallizes in an orthorhombic system with space group P212121 and Z = 4. The unit cell dimensions are a = 9.271(1)Ã , b = 11.838(1)Ã , c = 15.836(2)Ã , and V = 1738.0(3)Ã 3. The final R value is 0.042 for 1733 observed reflections. The seven-membered ring is distorted, showing a twist boat conformation. The molecular packing is stabilized by hydrogen bonding. The amide group forms strong hydrogen bonds with the symmetrically related neighboring molecules in the crystal. The molecules are linked into an infinite chain through hydrogen bonds. 2007 Â© The Japan Society for Analytical Chemistry

Crystal and Molecular Structure of cis-(+)-3-Acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-1-oxide