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KMID : 0614020000160010039
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Journal of Pharmaceutical Sciences (C.N.U.)
2000 Volume.16 No. 1 p.39 ~ p.43
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Crystal Structure of Racemic Mixture Thiepindioxide
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Park Kyung-Lae
Jang Suk-Young
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Abstract
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The solid structure of 2,7-Dihydro-3,4,5,6-dibenzothiepin-1-dioxide(I) was determined by x-ray diffraction method and it crystallized in P2(1)/C space group from saturated ethanol solution. Due to the axis of chirality in bridged biphenyl group compound I can exist in either Ra or Sa form and the conformational flexibility of 7-membered thiepin ring allows that each enantiomer interconverts to the other form at temperature above 80℃ in solution. In the crystal structure, there are two enantiomers in exact stoichiometry of 1:1 and the sulfonyl groups of Ra and Sa forms are facing to each other. Two types of hydrogen bond involving C-H group are responsible for crystalline cohesion.
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KEYWORD
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X-ray diffraction, axis of chirality, conformational enantiomer, H-bond
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