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Crystal structures of 6-[(2-hydroxy-1,1-bis-hydroxymethyl-ethylamino)-methylene]-4-nitro-cyclohexa-2,4-dienone hydrate and 6-[(2-hydroxy-1,1-bis-hydroxymethyl-ethylamino)-methylene]-4-bromo-cyclohexa-2,4-dienone

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Abstract

Crystal structures of 6-[(2-hydroxy-1,1-bis-hydroxymethyl-ethylamino)-methylene]-4-nitro-cyclohexa-2,4-dienone hydrate (I) and 6-[(2-hydroxy-1,1-bis-hydroxymethyl-ethylamino)-methylene]-4-bromo-cyclohexa-2,4-dienone (II) have been determined. The crystals of I are monoclinic, a = 16.957(1) Å, b = 10.729(2) Å, c = 7.240(3) Å; β = 99.56(3)°, space group P21/c, Z = 4, R = 0.0492. The crystals of II are triclinic, a = 10.282(2) Å, b = 7.189(3) Å, c = 16.831(3) Å; α = 90.67(3)°, β = 100.10(3)°, γ = 95.87(3)°; space group P-1, Z = 4, R = 0.0591. The independent part of the unit cell of I contains one unique molecule and water of crystallization, while in II — two unique molecules A and B. C(CH2OH)3 fragment of the molecule B manifests the disordering of alcohol oxygen atoms. Both in I and II, the salicylidene fragment of the molecules exists in the quinoid tautomeric form.

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Authors and Affiliations

  1. Institute of Applied Physics, Academy of Sciences of Moldova Republic, Chisinau

    Yu. M. Chumakov & B. Ya. Antosyak

  2. Moldova State University, Chisinau

    V. I. Tzapkov & A. P. Gulya

  3. Istituto Materiali per Elettronica e Magnetismo, Parma, Italia

    G. Bocelli

Authors
  1. Yu. M. Chumakov
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  2. V. I. Tzapkov
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  3. G. Bocelli
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  4. B. Ya. Antosyak
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  5. A. P. Gulya
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Original Russian Text Copyright © 2006 by Yu. M. Chumakov, V. I. Tzapkov, G. Bocelli, B. Ya. Antosyak, and A. P. Gulya

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Translated from Zhurnal Strukturnoi Khimii, Vol. 47, No.2, pp. 352–357, March–April, 2006.

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Chumakov, Y.M., Tzapkov, V.I., Bocelli, G. et al. Crystal structures of 6-[(2-hydroxy-1,1-bis-hydroxymethyl-ethylamino)-methylene]-4-nitro-cyclohexa-2,4-dienone hydrate and 6-[(2-hydroxy-1,1-bis-hydroxymethyl-ethylamino)-methylene]-4-bromo-cyclohexa-2,4-dienone. J Struct Chem 47, 346–351 (2006). https://doi.org/10.1007/s10947-006-0305-9

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  • DOI: https://doi.org/10.1007/s10947-006-0305-9

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