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Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetra-hydro-isoquinolin-2-yl]-1,2-di-phenyl-ethanol.

ABSTRACT: The synthesis and crystal structure of the title compound, C30H29NO, are described. This compound is a member of the chiral di-hydro-iso-quinoline-derived family, used as building blocks for functional materials and as source of chirality in asymmetric synthesis, and was isolated as one of two diastereomeric ?-amino alcohols, the title mol-ecule being found to be the (S,R) diastereoisomer. In the crystal, mol-ecules are packed in a herringbone manner parallel to (103) and (10) via weak C-H?O and C-H??(ring) inter-actions. Hirshfeld surface analysis showed that the surface contacts are predominantly H?H inter-actions (ca 75%). The crystal studied was refined as a two-component inversion twin.

SUBMITTER: Ben Ali K 

PROVIDER: S-EPMC6775741 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of (1<i>S</i>,2<i>R</i>)-2-[(3<i>R</i>,4<i>S</i>)-3-methyl-4-phenyl-1,2,3,4-tetra-hydro-isoquinolin-2-yl]-1,2-di-phenyl-ethanol.

Ben Ali Karim K   Retailleau Pascal P  

Acta crystallographica. Section E, Crystallographic communications 20190903 Pt 10

The synthesis and crystal structure of the title compound, C<sub>30</sub>H<sub>29</sub>NO, are described. This compound is a member of the chiral di-hydro-iso-quinoline-derived family, used as building blocks for functional materials and as source of chirality in asymmetric synthesis, and was isolated as one of two diastereomeric <i>β-</i>amino alcohols, the title mol-ecule being found to be the (<i>S,R</i>) diastereoisomer. In the crystal, mol-ecules are packed in a herringbone manner parallel  ...[more]

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