1-(4-Bromo-3,5,5,6,8,8-hexa­methyl-5,6,7,8-tetra­hydro­naphthalen-2-yl)ethan-1-one: a precursor for phase-I metabolite of AHTN

The title compound, C(18)H(25)BrO, crystallized as a racemate with four independent mol­ecules in the asymmetric unit. In the crystal, three of these four mol­ecules are linked via C—Br⋯Br—C halogen bonds [Br⋯Br = 3.662 (2) and 3.652 (2) Å], forming dimers.

Detalles Bibliográficos
Autores principales: Kuhlich, Paul, Emmerling, Franziska, Kraus, Werner, Nehls, Irene, Piechotta, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629597/
https://www.ncbi.nlm.nih.gov/pubmed/23634084
http://dx.doi.org/10.1107/S1600536813006934
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author Kuhlich, Paul
Emmerling, Franziska
Kraus, Werner
Nehls, Irene
Piechotta, Christian
author_facet Kuhlich, Paul
Emmerling, Franziska
Kraus, Werner
Nehls, Irene
Piechotta, Christian
author_sort Kuhlich, Paul
collection PubMed
description The title compound, C(18)H(25)BrO, crystallized as a racemate with four independent mol­ecules in the asymmetric unit. In the crystal, three of these four mol­ecules are linked via C—Br⋯Br—C halogen bonds [Br⋯Br = 3.662 (2) and 3.652 (2) Å], forming dimers.
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spelling pubmed-36295972013-04-30 1-(4-Bromo-3,5,5,6,8,8-hexa­methyl-5,6,7,8-tetra­hydro­naphthalen-2-yl)ethan-1-one: a precursor for phase-I metabolite of AHTN Kuhlich, Paul Emmerling, Franziska Kraus, Werner Nehls, Irene Piechotta, Christian Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(18)H(25)BrO, crystallized as a racemate with four independent mol­ecules in the asymmetric unit. In the crystal, three of these four mol­ecules are linked via C—Br⋯Br—C halogen bonds [Br⋯Br = 3.662 (2) and 3.652 (2) Å], forming dimers. International Union of Crystallography 2013-03-16 /pmc/articles/PMC3629597/ /pubmed/23634084 http://dx.doi.org/10.1107/S1600536813006934 Text en © Kuhlich et al. 2013 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
Kuhlich, Paul
Emmerling, Franziska
Kraus, Werner
Nehls, Irene
Piechotta, Christian
1-(4-Bromo-3,5,5,6,8,8-hexa­methyl-5,6,7,8-tetra­hydro­naphthalen-2-yl)ethan-1-one: a precursor for phase-I metabolite of AHTN
title 1-(4-Bromo-3,5,5,6,8,8-hexa­methyl-5,6,7,8-tetra­hydro­naphthalen-2-yl)ethan-1-one: a precursor for phase-I metabolite of AHTN
title_full 1-(4-Bromo-3,5,5,6,8,8-hexa­methyl-5,6,7,8-tetra­hydro­naphthalen-2-yl)ethan-1-one: a precursor for phase-I metabolite of AHTN
title_fullStr 1-(4-Bromo-3,5,5,6,8,8-hexa­methyl-5,6,7,8-tetra­hydro­naphthalen-2-yl)ethan-1-one: a precursor for phase-I metabolite of AHTN
title_full_unstemmed 1-(4-Bromo-3,5,5,6,8,8-hexa­methyl-5,6,7,8-tetra­hydro­naphthalen-2-yl)ethan-1-one: a precursor for phase-I metabolite of AHTN
title_short 1-(4-Bromo-3,5,5,6,8,8-hexa­methyl-5,6,7,8-tetra­hydro­naphthalen-2-yl)ethan-1-one: a precursor for phase-I metabolite of AHTN
title_sort 1-(4-bromo-3,5,5,6,8,8-hexa­methyl-5,6,7,8-tetra­hydro­naphthalen-2-yl)ethan-1-one: a precursor for phase-i metabolite of ahtn
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629597/
https://www.ncbi.nlm.nih.gov/pubmed/23634084
http://dx.doi.org/10.1107/S1600536813006934
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