Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 1 (January 2007)

organic compounds

 

Three ethyl 5-amino-1-aryl-1H-imidazole-4-carboxylates: hydrogen-bonded supramolecular structures in one, two and three dimensions

M. S. Costa, N. Boechat, S. M. S. V. Wardell, V. F. Ferreira, J. N. Low and C. Glidewell

Abstract: The molecules of ethyl 5-amino-1-(4-cyanophenyl)-1H-imidazole-4-carboxylate, C₁₃H₁₂N₄O₂, are linked into a chain of alternating R²₂(10) and R⁴₄(34) rings by a combination of N-HN and C-HN hydrogen bonds. In ethyl 5-amino-1-(4-chlorophenyl)-1H-imidazole-4-carboxylate, C₁₂H₁₂ClN₃O₂, where the ethyl group is disordered over two sets of sites, a combination of N-HO, N-HN, C-HN and C-H(arene) hydrogen bonds links the molecules into complex sheets. Two intermolecular hydrogen bonds, one each of N-HN and C-HO types, link the molecules of ethyl 5-amino-1-(2,6-difluorophenyl)-1H-imidazole-4-carboxylate, C₁₂H₁₁F₂N₃O₂, into a continuous three-dimensional framework structure.

Formula: C₁₃H₁₂N₄O₂, C₁₂H₁₂ClN₃O₂ and C₁₂H₁₁F₂N₃O₂

	Structure factor file (CIF format) (132.0 kbytes) [ doi:10.1107/S0108270106048402/sk3077Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (140.6 kbytes) [ doi:10.1107/S0108270106048402/sk3077IIsup3.hkl ] Contains datablock II
	Structure factor file (CIF format) (67.3 kbytes) [ doi:10.1107/S0108270106048402/sk3077IIIsup4.hkl ] Contains datablock III

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