The structure of ochotensine: X-ray analysis of ochotensine methiodide

Abstract

Crystals of ochotensine methiodide, C₂₂H₂₄INO₄, are tetragonal, a= 12·65, c= 25·89 Å, Z= 8, space group P4₁2₁2 or P4₃2₁2. The intensities of 845 independent reflexions (671 observed) were measured visually using Cu-K_α radiation, the iodide position was determined from the Patterson function, and all the carbon, nitrogen, and oxygen atoms were located on successive three-dimensional electron-density distributions. The positional and thermal parameters were refined by least squares, the final R being 0·11. The analysis establishes the structure of ochotensine and of its O-methyl ether, ochotensimine. The bond distances and valency angles are normal; the most significant intermolecular distances are l^–⋯O separations of 3·6 Å.