X-ray investigations of nebivolol and its isomers |
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Authors: | Gisbert Tuchalski Franziska Emmerling Karsten Grger Andr Hnsicke Thomas Nagel Günter Reck |
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Institution: | aBerlin-Chemie AG, Glienicker Weg 125, D-12489 Berlin, Germany bBundesanstalt für Materialforschung und -prüfung, Richard-Willstätter-Str. 11, D-12489 Berlin, Germany |
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Abstract: | The molecular and crystal structures of the hydrochlorides of d-nebivolol, dl-nebivolol, and seven nebivolol isomers have been determined by X-ray structure analysis. The absolute configuration of all the compounds could be determined unambiguously using anomal dispersion effects. Two compounds, dl-nebivolol (NEB-1d,l) and the (S,R,S,R) nebivolol isomer (NEB-6), crystallize as racemic mixtures in the centrosymmetric space group P-1. d-Nebivolol and six nebivolol isomers crystallize in space group P212121. The d- and l-nebivolol molecules in NEB-1d and NEB-1d,l adopt a conformation which is significantly different compared with that of all nebivolol isomers. With the exception of dl-nebivolol (NEB-1d,l) numerous intermolecular hydrogen bonds connect the molecules forming molecular layers. |
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Keywords: | X-ray crystal structure Nebivolol |
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