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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
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 |
Sumario: | 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)°. |
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