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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. | LitMetric

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

Acta Crystallogr Sect E Struct Rep Online

Centre de Recherche de Gif sur Yvette, ICSN-CNRS, 1 avenue de la Terrasse, 91198 Gif sur Yvette, France.

Published: March 2014

AI Article Synopsis

  • The compound C24H24N(+)·BF4 (-) is a salt that exists as one of two possible diastereoisomers characterized by the configuration of the asymmetric center in the α-phenyl-ethyl substituent, which is designated as R.
  • The crystal structure features two phenyl groups in a cofacial arrangement, with a significant centroid-centroid distance of 4.129 (3) Å.
  • Additionally, the structure shows multiple C-H⋯F interactions involving the tetra-fluorido-borate anion, which is coordinated by five iminium cations.

Article Abstract

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 cations.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998414PMC
http://dx.doi.org/10.1107/S160053681400230XDOI Listing

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