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Cholic acid–quinoxaline (2/1)

In the title inclusion compound, 2C(24)H(40)O(5)·C(8)H(6)N(2), the unit cell contains two mol­ecules of cholic acid (3α,7α,12α-trihydr­oxy-5β-cholan-24-oic acid) and one mol­ecule of quinoxaline which implies disorder of the quinoxaline in the space group P2(1). The amphiphilic mol­ecules of cholic...

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Autores principales: Wicher, Barbara, Gdaniec, Maria
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961426/
https://www.ncbi.nlm.nih.gov/pubmed/21202647
http://dx.doi.org/10.1107/S1600536808015067
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author Wicher, Barbara
Gdaniec, Maria
author_facet Wicher, Barbara
Gdaniec, Maria
author_sort Wicher, Barbara
collection PubMed
description In the title inclusion compound, 2C(24)H(40)O(5)·C(8)H(6)N(2), the unit cell contains two mol­ecules of cholic acid (3α,7α,12α-trihydr­oxy-5β-cholan-24-oic acid) and one mol­ecule of quinoxaline which implies disorder of the quinoxaline in the space group P2(1). The amphiphilic mol­ecules of cholic acid assemble, in an anti­parallel arrangement, via O—H⋯O hydrogen bonds, into typical corrugated host bilayers which are lipophilic on the outside and lipophobic on the inside. The host framework belongs to the so called α-trans subtype. The quinoxaline mol­ecules are accommodated in lipophilic channels formed between neighboring bilayers with only van der Waals inter­actions between host and guest. There is a crystallographic twofold screw axis directed along an empty channel in the host framework; however, neighboring guests in any one channel are related by a unit-cell translation along the b axis. Thus, the overall structure is a 1:1 superposition of two such channels related by the crystallographic twofold screw axis.
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spelling pubmed-29614262010-12-30 Cholic acid–quinoxaline (2/1) Wicher, Barbara Gdaniec, Maria Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title inclusion compound, 2C(24)H(40)O(5)·C(8)H(6)N(2), the unit cell contains two mol­ecules of cholic acid (3α,7α,12α-trihydr­oxy-5β-cholan-24-oic acid) and one mol­ecule of quinoxaline which implies disorder of the quinoxaline in the space group P2(1). The amphiphilic mol­ecules of cholic acid assemble, in an anti­parallel arrangement, via O—H⋯O hydrogen bonds, into typical corrugated host bilayers which are lipophilic on the outside and lipophobic on the inside. The host framework belongs to the so called α-trans subtype. The quinoxaline mol­ecules are accommodated in lipophilic channels formed between neighboring bilayers with only van der Waals inter­actions between host and guest. There is a crystallographic twofold screw axis directed along an empty channel in the host framework; however, neighboring guests in any one channel are related by a unit-cell translation along the b axis. Thus, the overall structure is a 1:1 superposition of two such channels related by the crystallographic twofold screw axis. International Union of Crystallography 2008-05-21 /pmc/articles/PMC2961426/ /pubmed/21202647 http://dx.doi.org/10.1107/S1600536808015067 Text en © Wicher and Gdaniec 2008 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
Wicher, Barbara
Gdaniec, Maria
Cholic acid–quinoxaline (2/1)
title Cholic acid–quinoxaline (2/1)
title_full Cholic acid–quinoxaline (2/1)
title_fullStr Cholic acid–quinoxaline (2/1)
title_full_unstemmed Cholic acid–quinoxaline (2/1)
title_short Cholic acid–quinoxaline (2/1)
title_sort cholic acid–quinoxaline (2/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961426/
https://www.ncbi.nlm.nih.gov/pubmed/21202647
http://dx.doi.org/10.1107/S1600536808015067
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