Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 7 (July 2006)

organic compounds

 

(Z)-6-{[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-2-ethoxyphenolate, (Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yliminio]methyl}-4-nitratocyclohexa-2,4-dienone monohydrate and (R,E)-2-[(1-hydroxybutan-2-ylimino)methyl]phenol

S. Yüce, Ç. Albayrak, M. Odabasoglu and O. Büyükgüngör

Abstract: The title compounds C₁₃H₁₉NO₅, C₁₁H₁₄N₂O₆·H₂O and C₁₁H₁₅NO₂, respectively, have been derived from 3-ethoxysalicylaldehyde, 5-nitrosalicylaldehyde and salicylaldehyde, respectively. The C-O and N-C bond distances, and three hydrogen bonds formed by the phenolate O atom, show that the zwitterionic form exists in the first compound. The second compound is transformed to the quinoid form as a result of resonance between the zwitterionic form and the nitro group. The third compound exists in the phenol-imine form, with appropriate C-N and C-O bond distances.

Formula: C₁₃H₁₉NO₅, C₁₁H₁₄N₂O₆·H₂O and C₁₁H₁₅NO₂

	Structure factor file (CIF format) (291.6 kbytes) [ doi:10.1107/S0108270106017252/hj1092Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (138.4 kbytes) [ doi:10.1107/S0108270106017252/hj1092IIsup3.hkl ] Contains datablock II
	Structure factor file (CIF format) (58.7 kbytes) [ doi:10.1107/S0108270106017252/hj1092IIIsup4.hkl ] Contains datablock III

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