Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 11 (November 2003)

organic compounds

fr1432 scheme

Acta Cryst. (2003). C59, o616-o619 [ doi:10.1107/S0108270103020997 ]

2-{[Tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one and its 6-hydroxy and 6-methoxy derivatives

M. Odabasoglu, Ç. Albayrak, O. Büyükgüngör and P. Lönnecke

Abstract: The title compounds, 2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one, C₁₁H₁₅NO₄, (I), 6-hydroxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one, C₁₁H₁₅NO₅, (II), and 6-methoxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one, C₁₂H₁₇NO₅, (III), adopt the keto-amine tautomeric form, with the formal hydroxy H atom located on the N atom, and the NH group and oxo O atom display a strong intramolecular N-HO hydrogen bond. The N-HO hydrogen-bonded rings are almost planar and coupled with the cyclohexadiene rings. The carbonyl O atoms accept two other H atoms from the alcohol groups of adjacent molecules in (I), and one from the alcohol and one from the phenol group in (II), but from only one alcohol H atom in (III).

Formula: C₁₁H₁₅NO₄, C₁₁H₁₅NO₅ and C₁₂H₁₇NO₅


	Structure factor file (CIF format) (129.9 kbytes) Contains datablock I

	Structure factor file (CIF format) (108.7 kbytes) Contains datablock II

	Structure factor file (CIF format) (132.1 kbytes) Contains datablock III

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.