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(3R,4S)-3-Methyl-4-phenyl-2-[(R)-1-phenyl-eth-yl]-3,4-di-hydro-isoquinolin-2-ium tetra-fluorido-borate.

ABSTRACT: The title salt, C24H24N(+)·BF4 (-), is one of two possible dias-tereoisomers having a different configuration of the asymmetric centre in the ?-phenyl-ethyl substituent, whose absolute configuration was established to be R. The two phenyl substituents of the cation have a cofacial orientation, albeit with a long centroid-centroid separation of 4.129?(3)?Å. The crystal structure exhibits numerous C-H?F contacts between counter-ions, with the tetra-fluorido-borate anion surrounded by five iminium cations.

SUBMITTER: Ben Ali K

PROVIDER: S-EPMC3998414 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

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(3R,4S)-3-Methyl-4-phenyl-2-[(R)-1-phenyl-eth-yl]-3,4-di-hydro-isoquinolin-2-ium tetra-fluorido-borate.

Ben Ali Karim K Retailleau Pascal P

Acta crystallographica. Section E, Structure reports online 20140208 Pt 3

The title salt, C24H24N(+)·BF4 (-), is one of two possible dias-tereoisomers having a different configuration of the asymmetric centre in the α-phenyl-ethyl substituent, whose absolute configuration was established to be R. The two phenyl substituents of the cation have a cofacial orientation, albeit with a long centroid-centroid separation of 4.129 (3) Å. The crystal structure exhibits numerous C-H⋯F contacts between counter-ions, with the tetra-fluorido-borate anion surrounded by five iminium ...[more]

PMID: 24764972

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