The molecular and crystal structure of (+)-mianserin hydrobromide


Ru, C. van and Feil, D. (1973) The molecular and crystal structure of (+)-mianserin hydrobromide. Tetrahedron, 29 (13). pp. 1891-1893. ISSN 0040-4020

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Abstract:X-ray analysis of crystals of (+)-mianserin hydrobromide (1,2,3,4,10,14b-hexahydro-2-methyl-dibenzol[c,f]pyrazino[1,2-a]azepine) has established the stereochemistry and absolute configuration of this compound (S at 14b).

The crystals are orthorhombic with unit-cell dimensions: a = 1299(1)pm, b = 1420(1)pm, c = 1002(1)pm; Z = 4. The space group is P212121. Intensity data for about 1000 reflections were measured on a single-crystal diflractometer with Cu-Kα radiation. The crystal structure was solved by the heavy-atom method and refined by least-squares procedures. Final R-factor 9·4%. The absolute configuration was determined by Bijvoet's technique.
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Copyright:© 1973 Elsevier Science
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