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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Authors: | Yu M Chumakov V I Tzapkov G Bocelli B Ya Antosyak A P Gulya |
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Institution: | (1) Institute of Applied Physics, Academy of Sciences of Moldova Republic, Chisinau;(2) Moldova State University, Chisinau;(3) Istituto Materiali per Elettronica e Magnetismo, Parma, Italia |
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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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Keywords: | condensation products tris(hydroxymethyl)aminomethane salicylidene-alkanoleamine quinoid tautomeric form crystal structure |
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