[(1R,3S)-6,7-Dimeth­oxy-1-phenyl-1,2,3,4-tetra­hydro­isoquinolin-3-yl]methanol 2.33-hydrate

The title compound, C(18)H(21)NO(3)·2.33H(2)O, is the fourth reported member in a series of (1R,3S)-6,7-dimeth­oxy-1-phenyl-1,2,3,4-tetra­hydro­isoquinoline derivatives used in catalysis as ligands (or their precursors). The N-heterocycle in the structure adopts a half-chair conformation. The dihedr...

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Autores principales: Chakka, Sai Kumar, McKay, Michael G., Govender, Thavendran, Kruger, Hendrik G., Maguire, Glenn E. M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3052049/
https://www.ncbi.nlm.nih.gov/pubmed/21522445
http://dx.doi.org/10.1107/S1600536811006052
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author Chakka, Sai Kumar
McKay, Michael G.
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
author_facet Chakka, Sai Kumar
McKay, Michael G.
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
author_sort Chakka, Sai Kumar
collection PubMed
description The title compound, C(18)H(21)NO(3)·2.33H(2)O, is the fourth reported member in a series of (1R,3S)-6,7-dimeth­oxy-1-phenyl-1,2,3,4-tetra­hydro­isoquinoline derivatives used in catalysis as ligands (or their precursors). The N-heterocycle in the structure adopts a half-chair conformation. The dihedral angle between the benzene rings is 77.29 (13)°. There are three ill-resolved water molecules of crystallization in the structure (one of them rotationally disordered about a threefold axis) involved in short contacts probably due to hydrogen bonding.
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spelling pubmed-30520492011-04-26 [(1R,3S)-6,7-Dimeth­oxy-1-phenyl-1,2,3,4-tetra­hydro­isoquinolin-3-yl]methanol 2.33-hydrate Chakka, Sai Kumar McKay, Michael G. Govender, Thavendran Kruger, Hendrik G. Maguire, Glenn E. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(18)H(21)NO(3)·2.33H(2)O, is the fourth reported member in a series of (1R,3S)-6,7-dimeth­oxy-1-phenyl-1,2,3,4-tetra­hydro­isoquinoline derivatives used in catalysis as ligands (or their precursors). The N-heterocycle in the structure adopts a half-chair conformation. The dihedral angle between the benzene rings is 77.29 (13)°. There are three ill-resolved water molecules of crystallization in the structure (one of them rotationally disordered about a threefold axis) involved in short contacts probably due to hydrogen bonding. International Union of Crystallography 2011-02-23 /pmc/articles/PMC3052049/ /pubmed/21522445 http://dx.doi.org/10.1107/S1600536811006052 Text en © Chakka et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Chakka, Sai Kumar
McKay, Michael G.
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
[(1R,3S)-6,7-Dimeth­oxy-1-phenyl-1,2,3,4-tetra­hydro­isoquinolin-3-yl]methanol 2.33-hydrate
title [(1R,3S)-6,7-Dimeth­oxy-1-phenyl-1,2,3,4-tetra­hydro­isoquinolin-3-yl]methanol 2.33-hydrate
title_full [(1R,3S)-6,7-Dimeth­oxy-1-phenyl-1,2,3,4-tetra­hydro­isoquinolin-3-yl]methanol 2.33-hydrate
title_fullStr [(1R,3S)-6,7-Dimeth­oxy-1-phenyl-1,2,3,4-tetra­hydro­isoquinolin-3-yl]methanol 2.33-hydrate
title_full_unstemmed [(1R,3S)-6,7-Dimeth­oxy-1-phenyl-1,2,3,4-tetra­hydro­isoquinolin-3-yl]methanol 2.33-hydrate
title_short [(1R,3S)-6,7-Dimeth­oxy-1-phenyl-1,2,3,4-tetra­hydro­isoquinolin-3-yl]methanol 2.33-hydrate
title_sort [(1r,3s)-6,7-dimeth­oxy-1-phenyl-1,2,3,4-tetra­hydro­isoquinolin-3-yl]methanol 2.33-hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3052049/
https://www.ncbi.nlm.nih.gov/pubmed/21522445
http://dx.doi.org/10.1107/S1600536811006052
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