Bis[3α,7α,12α-tris­(4-nitro­benzo­yloxy)-5β-cholan-24-yl] disulfide–ethyl acetate–n-hexane (4/4/1)

The crystal structure of the title compound, C(90)H(100)N(6)O(24)S(2)·C(4)H(8)O(2)·0.25C(6)H(14), solved and refined against synchrotron diffraction data, contains two formula units in the asymmetric unit with the all-trans n-hexane mol­ecule having half-occupancy and one of the ethyl acetate mol­ec...

Descripción completa

Detalles Bibliográficos
Autores principales: Brzezinski, Krzysztof, Tomkiel, Aneta M., Łotowski, Zenon, Morzycki, Jacek, Dauter, Zbigniew
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050291/
https://www.ncbi.nlm.nih.gov/pubmed/21522786
http://dx.doi.org/10.1107/S1600536810050385
_version_ 1782199329648279552
author Brzezinski, Krzysztof
Tomkiel, Aneta M.
Łotowski, Zenon
Morzycki, Jacek
Dauter, Zbigniew
author_facet Brzezinski, Krzysztof
Tomkiel, Aneta M.
Łotowski, Zenon
Morzycki, Jacek
Dauter, Zbigniew
author_sort Brzezinski, Krzysztof
collection PubMed
description The crystal structure of the title compound, C(90)H(100)N(6)O(24)S(2)·C(4)H(8)O(2)·0.25C(6)H(14), solved and refined against synchrotron diffraction data, contains two formula units in the asymmetric unit with the all-trans n-hexane mol­ecule having half-occupancy and one of the ethyl acetate mol­ecules disordered over two positions. The two symmetry-independent disulfide mol­ecules are assembled by approximate face-to-face and face-to-edge inter­actions between their 4-nitro­benzo­yloxy groups into an inter­twined dimer having a double-helix-type structure. The centrally placed disulfide bridges in the two symmetry-independent mol­ecules exhibit different helicity as shown by the C—S—S—C torsion angles of 71.0 (1) and −92.5 (1)°.
format Text
id pubmed-3050291
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-30502912011-04-26 Bis[3α,7α,12α-tris­(4-nitro­benzo­yloxy)-5β-cholan-24-yl] disulfide–ethyl acetate–n-hexane (4/4/1) Brzezinski, Krzysztof Tomkiel, Aneta M. Łotowski, Zenon Morzycki, Jacek Dauter, Zbigniew Acta Crystallogr Sect E Struct Rep Online Organic Papers The crystal structure of the title compound, C(90)H(100)N(6)O(24)S(2)·C(4)H(8)O(2)·0.25C(6)H(14), solved and refined against synchrotron diffraction data, contains two formula units in the asymmetric unit with the all-trans n-hexane mol­ecule having half-occupancy and one of the ethyl acetate mol­ecules disordered over two positions. The two symmetry-independent disulfide mol­ecules are assembled by approximate face-to-face and face-to-edge inter­actions between their 4-nitro­benzo­yloxy groups into an inter­twined dimer having a double-helix-type structure. The centrally placed disulfide bridges in the two symmetry-independent mol­ecules exhibit different helicity as shown by the C—S—S—C torsion angles of 71.0 (1) and −92.5 (1)°. International Union of Crystallography 2010-12-11 /pmc/articles/PMC3050291/ /pubmed/21522786 http://dx.doi.org/10.1107/S1600536810050385 Text en © Brzezinski 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
Brzezinski, Krzysztof
Tomkiel, Aneta M.
Łotowski, Zenon
Morzycki, Jacek
Dauter, Zbigniew
Bis[3α,7α,12α-tris­(4-nitro­benzo­yloxy)-5β-cholan-24-yl] disulfide–ethyl acetate–n-hexane (4/4/1)
title Bis[3α,7α,12α-tris­(4-nitro­benzo­yloxy)-5β-cholan-24-yl] disulfide–ethyl acetate–n-hexane (4/4/1)
title_full Bis[3α,7α,12α-tris­(4-nitro­benzo­yloxy)-5β-cholan-24-yl] disulfide–ethyl acetate–n-hexane (4/4/1)
title_fullStr Bis[3α,7α,12α-tris­(4-nitro­benzo­yloxy)-5β-cholan-24-yl] disulfide–ethyl acetate–n-hexane (4/4/1)
title_full_unstemmed Bis[3α,7α,12α-tris­(4-nitro­benzo­yloxy)-5β-cholan-24-yl] disulfide–ethyl acetate–n-hexane (4/4/1)
title_short Bis[3α,7α,12α-tris­(4-nitro­benzo­yloxy)-5β-cholan-24-yl] disulfide–ethyl acetate–n-hexane (4/4/1)
title_sort bis[3α,7α,12α-tris­(4-nitro­benzo­yloxy)-5β-cholan-24-yl] disulfide–ethyl acetate–n-hexane (4/4/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050291/
https://www.ncbi.nlm.nih.gov/pubmed/21522786
http://dx.doi.org/10.1107/S1600536810050385
work_keys_str_mv AT brzezinskikrzysztof bis3a7a12atris4nitrobenzoyloxy5bcholan24yldisulfideethylacetatenhexane441
AT tomkielanetam bis3a7a12atris4nitrobenzoyloxy5bcholan24yldisulfideethylacetatenhexane441
AT łotowskizenon bis3a7a12atris4nitrobenzoyloxy5bcholan24yldisulfideethylacetatenhexane441
AT morzyckijacek bis3a7a12atris4nitrobenzoyloxy5bcholan24yldisulfideethylacetatenhexane441
AT dauterzbigniew bis3a7a12atris4nitrobenzoyloxy5bcholan24yldisulfideethylacetatenhexane441

Ejemplares similares