Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 1 (January 2005)

organic compounds

sk1792 scheme

Acta Cryst. (2005). C61, o15-o20 [doi:10.1107/S0108270104028859]

5-(1-Hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and four amino derivatives

E. T. da Silva, R. S. Ribiero, E. L. S. Lima, J. L. Wardell, J. M. S. Skakle, J. N. Low and C. Glidewell

Abstract: In the structures of 5-(1-hydroxyethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, C₈H₁₀N₂O₄, (I), 1,3-dimethyl-5-[1-(propylamino)ethylidene]pyrimidine-2,4,6(1H,3H,5H)-trione, C₁₁H₁₇N₃O₃, (II), and 5-[1-(2,2-dimethoxyethyl)ethylidene]-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, C₁₂H₁₉N₃O₅, (III), there are no direction-specific intermolecular interactions. The molecules in 5-(1-benzylethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, C₁₅H₁₇N₃O₃, (IV), are linked into chains of edge-fused rings by a combination of one C-HO hydrogen bond and one C-H [bold pi] (arene) hydrogen bond, while the molecules in 5-(1-hydrazinoethylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, C₈H₁₂N₄O₃, (V), are linked into a continuous framework structure by three distinct N-HO hydrogen bonds, each involving a different O-atom acceptor. Each of compounds (I)-(V) contains an intramolecular hydrogen bond, of the O-HO type in (I) and of the N-HO type in (II)-(V).

Formula: C₈H₁₀N₂O₄, C₁₁H₁₇N₃O₃, C₁₂H₁₉N₃O₅, C₁₅H₁₇N₃O₃ and C₈H₁₂N₄O₃


	Structure factor file (CIF format) (156.9 kbytes) Contains datablock I

	Structure factor file (CIF format) (104.7 kbytes) Contains datablock II

	Structure factor file (CIF format) (145.9 kbytes) Contains datablock III

	Structure factor file (CIF format) (159.0 kbytes) Contains datablock IV

	Structure factor file (CIF format) (106.3 kbytes) Contains datablock V

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