The Structure of 2,4,6-Tris(dimethylamine)phenol Hydrochloride

A polar, ionic compound with symmetry generated disorder of the cation





This ionic compound crystallizes in a rhombohedral unit cell with three-fold rotational symmetry for the organic cation. The 2,4,6 arrangement of the ammonium groups about the ring (and a similar arrangement of the chloride ions to accomodate hydrogen bonding to the ammonium groups is almost certainly responsible for the high rotational symmetry assumed by the organic cation. But this symmetry is higher than the molecular symmetry, which can be m at best. Thus symmetry generated disorder is found for the phenolic group and the two ring hydrogens. The special features of this structure, high symmetry, symmetry generated disorder, polar space group (R3c), makes it an interesting but challenging structure for the well-prepared or gifted undergraduate. This structure has not been published and is useful for those instructors who desire a higher level of grade security.

Literature reference: None!

Companion Structure: None.


Structure Determination Files by FTP

Download X-ray Data Set (fg13.hkl)

Download X-ray Data Collection Parameters (fg13.p4p)

Download Final Refinement Results (fg13.res)


Last changed December 7, 1996

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