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Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetra­hydro­isoquinolin-2-yl]-1,2-di­phenyl­ethanol

The synthesis and crystal structure of the title compound, C(30)H(29)NO, are described. This compound is a member of the chiral di­hydro­iso­quinoline-derived family, used as building blocks for functional materials and as source of chirality in asymmetric synthesis, and was isolated as one of two d...

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Detalles Bibliográficos
Autores principales: Ben Ali, Karim, Retailleau, Pascal
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6775741/
https://www.ncbi.nlm.nih.gov/pubmed/31636965
http://dx.doi.org/10.1107/S2056989019011964
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author Ben Ali, Karim
Retailleau, Pascal
author_facet Ben Ali, Karim
Retailleau, Pascal
author_sort Ben Ali, Karim
collection PubMed
description The synthesis and crystal structure of the title compound, C(30)H(29)NO, are described. This compound is a member of the chiral di­hydro­iso­quinoline-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 β-amino alcohols, the title mol­ecule being found to be the (S,R) diastereoisomer. In the crystal, mol­ecules are packed in a herringbone manner parallel to (103) and (10[Image: see text]) via weak C—H⋯O and C—H⋯π(ring) inter­actions. Hirshfeld surface analysis showed that the surface contacts are predominantly H⋯H inter­actions (ca 75%). The crystal studied was refined as a two-component inversion twin.
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spelling pubmed-67757412019-10-21 Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetra­hydro­isoquinolin-2-yl]-1,2-di­phenyl­ethanol Ben Ali, Karim Retailleau, Pascal Acta Crystallogr E Crystallogr Commun Research Communications The synthesis and crystal structure of the title compound, C(30)H(29)NO, are described. This compound is a member of the chiral di­hydro­iso­quinoline-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 β-amino alcohols, the title mol­ecule being found to be the (S,R) diastereoisomer. In the crystal, mol­ecules are packed in a herringbone manner parallel to (103) and (10[Image: see text]) via weak C—H⋯O and C—H⋯π(ring) inter­actions. Hirshfeld surface analysis showed that the surface contacts are predominantly H⋯H inter­actions (ca 75%). The crystal studied was refined as a two-component inversion twin. International Union of Crystallography 2019-09-03 /pmc/articles/PMC6775741/ /pubmed/31636965 http://dx.doi.org/10.1107/S2056989019011964 Text en © Ben Ali and Retailleau 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Ben Ali, Karim
Retailleau, Pascal
Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetra­hydro­isoquinolin-2-yl]-1,2-di­phenyl­ethanol
title Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetra­hydro­isoquinolin-2-yl]-1,2-di­phenyl­ethanol
title_full Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetra­hydro­isoquinolin-2-yl]-1,2-di­phenyl­ethanol
title_fullStr Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetra­hydro­isoquinolin-2-yl]-1,2-di­phenyl­ethanol
title_full_unstemmed Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetra­hydro­isoquinolin-2-yl]-1,2-di­phenyl­ethanol
title_short Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetra­hydro­isoquinolin-2-yl]-1,2-di­phenyl­ethanol
title_sort crystal structure of (1s,2r)-2-[(3r,4s)-3-methyl-4-phenyl-1,2,3,4-tetra­hydro­isoquinolin-2-yl]-1,2-di­phenyl­ethanol
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6775741/
https://www.ncbi.nlm.nih.gov/pubmed/31636965
http://dx.doi.org/10.1107/S2056989019011964
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