Bis[3a,7a,12a-tris(4-nitrobenzoyloxy)-5bcholan-24-yl] disulfide-ethyl acetate-nhexane (4/4/1)

Abstract

The crystal structure of the title compound, C90H 100N6O24S2·-C 4H8O2·0.25C6H14, solved and refined against synchrotron diffraction data, contains two formula units in the asymmetric unit with the all-trans n-hexane molecule having halfoccupancy 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)°.