3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra­hydro-2-naphthoic acid (AHTN–COOH)

The title compound, C(17)H(24)O(2), is the product of a haloform reaction of 6-acetyl-1,1,2,4,4,7-hexa­methyl­tetra­line (AHTN). The compound is a racemic mixture with a disorder in its aliphatic ring [occupany ratio 0.683 (4):0.317 (4)] due to two possible half-chair forms. The carb­oxy­lic acid un...

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Detalles Bibliográficos
Autores principales: Kuhlich, Paul, Göstl, Robert, Metzinger, Ramona, Piechotta, Christian, Nehls, Irene
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983290/
https://www.ncbi.nlm.nih.gov/pubmed/21587655
http://dx.doi.org/10.1107/S1600536810038572
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author Kuhlich, Paul
Göstl, Robert
Metzinger, Ramona
Piechotta, Christian
Nehls, Irene
author_facet Kuhlich, Paul
Göstl, Robert
Metzinger, Ramona
Piechotta, Christian
Nehls, Irene
author_sort Kuhlich, Paul
collection PubMed
description The title compound, C(17)H(24)O(2), is the product of a haloform reaction of 6-acetyl-1,1,2,4,4,7-hexa­methyl­tetra­line (AHTN). The compound is a racemic mixture with a disorder in its aliphatic ring [occupany ratio 0.683 (4):0.317 (4)] due to two possible half-chair forms. The carb­oxy­lic acid unit is slightly twisted out of coplanarity with the aromatic system [dihedral angle = 29.26 (6)°]. In the crystal, pairs of short classical inter­molecular O—H⋯O hydrogen bonds link pairs of mol­ecules around a center of symmetry.
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spelling pubmed-29832902010-12-30 3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra­hydro-2-naphthoic acid (AHTN–COOH) Kuhlich, Paul Göstl, Robert Metzinger, Ramona Piechotta, Christian Nehls, Irene Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(17)H(24)O(2), is the product of a haloform reaction of 6-acetyl-1,1,2,4,4,7-hexa­methyl­tetra­line (AHTN). The compound is a racemic mixture with a disorder in its aliphatic ring [occupany ratio 0.683 (4):0.317 (4)] due to two possible half-chair forms. The carb­oxy­lic acid unit is slightly twisted out of coplanarity with the aromatic system [dihedral angle = 29.26 (6)°]. In the crystal, pairs of short classical inter­molecular O—H⋯O hydrogen bonds link pairs of mol­ecules around a center of symmetry. International Union of Crystallography 2010-09-30 /pmc/articles/PMC2983290/ /pubmed/21587655 http://dx.doi.org/10.1107/S1600536810038572 Text en © Kuhlich et al. 2010 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
Göstl, Robert
Metzinger, Ramona
Piechotta, Christian
Nehls, Irene
3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra­hydro-2-naphthoic acid (AHTN–COOH)
title 3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra­hydro-2-naphthoic acid (AHTN–COOH)
title_full 3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra­hydro-2-naphthoic acid (AHTN–COOH)
title_fullStr 3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra­hydro-2-naphthoic acid (AHTN–COOH)
title_full_unstemmed 3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra­hydro-2-naphthoic acid (AHTN–COOH)
title_short 3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetra­hydro-2-naphthoic acid (AHTN–COOH)
title_sort 3,5,5,6,8,8-hexamethyl-5,6,7,8-tetra­hydro-2-naphthoic acid (ahtn–cooh)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983290/
https://www.ncbi.nlm.nih.gov/pubmed/21587655
http://dx.doi.org/10.1107/S1600536810038572
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