Sodium etiobilirubin-IVgamma-C10-sulfonate: a highly solvated bile pigment structure containing two different non-ridge-tile conformers in the unit cell.
The crystal structure of the title compound is the first example of a bilirubin existing in both extended and cyclic conformations and the first bile pigment structure showing two markedly different conformations in the unit cell. In contrast to previous rubin structures the dipyrrinone rings are twisted out of planarity in both conformers. Because of numerous hydrogen-bonding and ionic interactions a highly complex tetrameric structure is observed in which each extended conformer is held pincer-like by another.
Senge
M O
MO
Institut für Chemie, Organische Chemie, Freie Universität Berlin, Germany.
Ma
J S
JS
McDonagh
A F
AF
D001654:Bile Pigments / Q000737:chemistry*; D001663:Bilirubin / Q000031:analogs & derivatives* / Q000138:chemical synthesis* / Q000302:isolation & purification; D003461:Crystallography; D009682:Magnetic Resonance Spectroscopy; D008968:Molecular Conformation; D015394:Molecular Structure; D013057:Spectrum Analysis
D001654:Bile Pigments; C433949:Sodium etiobilirubin-IVgamma-C10-sulfonate; D001663:Bilirubin