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

Brzezinski K, Tomkiel AM, Lotowski Z, Morzycki J, Dauter Z - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: 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 mol-ecule having half-occupancy and one of the ethyl acetate mol-ecules disordered over two positions.The two symmetry-independent disulfide mol-ecules are assembled by approximate face-to-face and face-to-edge inter-actions between their 4-nitro-benzo-yloxy groups into an inter-twined dimer having a double-helix-type structure.The centrally placed disulfide bridges in the two symmetry-independent mol-ecules 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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ABSTRACT
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 mol-ecule having half-occupancy and one of the ethyl acetate mol-ecules disordered over two positions. The two symmetry-independent disulfide mol-ecules are assembled by approximate face-to-face and face-to-edge inter-actions between their 4-nitro-benzo-yloxy groups into an inter-twined dimer having a double-helix-type structure. The centrally placed disulfide bridges in the two symmetry-independent mol-ecules 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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Stereoview representation of a tight dimer present in the asymmetric unit. The green part corresponds to the molecule with atoms marked with a suffix "a" and "b" and the black one with "c" and "d", respectively. Displacement ellipsoids are drawn at the 50% probability level.
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Fap2: Stereoview representation of a tight dimer present in the asymmetric unit. The green part corresponds to the molecule with atoms marked with a suffix "a" and "b" and the black one with "c" and "d", respectively. Displacement ellipsoids are drawn at the 50% probability level.


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

Brzezinski K, Tomkiel AM, Lotowski Z, Morzycki J, Dauter Z - Acta Crystallogr Sect E Struct Rep Online (2010)

Stereoview representation of a tight dimer present in the asymmetric unit. The green part corresponds to the molecule with atoms marked with a suffix "a" and "b" and the black one with "c" and "d", respectively. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3050291&req=5

Fap2: Stereoview representation of a tight dimer present in the asymmetric unit. The green part corresponds to the molecule with atoms marked with a suffix "a" and "b" and the black one with "c" and "d", respectively. Displacement ellipsoids are drawn at the 50% probability level.
Bottom Line: 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 mol-ecule having half-occupancy and one of the ethyl acetate mol-ecules disordered over two positions.The two symmetry-independent disulfide mol-ecules are assembled by approximate face-to-face and face-to-edge inter-actions between their 4-nitro-benzo-yloxy groups into an inter-twined dimer having a double-helix-type structure.The centrally placed disulfide bridges in the two symmetry-independent mol-ecules exhibit different helicity as shown by the C-S-S-C torsion angles of 71.0 (1) and -92.5 (1)°.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
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 mol-ecule having half-occupancy and one of the ethyl acetate mol-ecules disordered over two positions. The two symmetry-independent disulfide mol-ecules are assembled by approximate face-to-face and face-to-edge inter-actions between their 4-nitro-benzo-yloxy groups into an inter-twined dimer having a double-helix-type structure. The centrally placed disulfide bridges in the two symmetry-independent mol-ecules exhibit different helicity as shown by the C-S-S-C torsion angles of 71.0 (1) and -92.5 (1)°.

No MeSH data available.


Related in: MedlinePlus