TY - JOUR A1 - Tuchalski, G. A1 - Emmerling, Franziska A1 - Gröger, K. A1 - Hänsicke, A. A1 - Nagel, T. A1 - Reck, Günter T1 - X-ray investigations of nebivolol and its isomers T2 - Journal of molecular structure N2 - 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. PB - Elsevier CY - Amsterdam KW - X-ray crystal structure KW - Nebivolol PY - 2006 UR - https://opus4.kobv.de/opus4-bam/frontdoor/index/index/docId/13800 AN - OPUS4-13800 SN - 0022-2860 SN - 1872-8014 SN - 0377-046X VL - 800 IS - 1-3 SP - 28 EP - 44 AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany