Cargando…
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...
Autores principales: | , |
---|---|
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 |
_version_ | 1782188979856080896 |
---|---|
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. |
format | Text |
id | pubmed-2961426 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT wicherbarbara cholicacidquinoxaline21 AT gdaniecmaria cholicacidquinoxaline21 |