Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 9 (September 2007)

organic compounds

sk3149 scheme

Acta Cryst. (2007). C63, o510-o513 [ doi:10.1107/S010827010703346X ]

Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]benzoate

J. Portilla, E. G. Mata, J. Cobo, J. N. Low and C. Glidewell

Abstract: In methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate, C₁₇H₁₄N₄O₄, the molecules are linked into complex sheets by a combination of N-HN, N-HO and C-HO hydrogen bonds. In the isomeric methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]benzoate, molecules exhibit a polarized molecular-electronic structure and are linked into chains of edge-fused rings by a combination of N-HO and C-HO hydrogen bonds.

Formula: C₁₇H₁₄N₄O₄


	Structure factor file (CIF format) (176.4 kbytes) [ doi:10.1107/S010827010703346X/sk3149Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (167.9 kbytes) [ doi:10.1107/S010827010703346X/sk3149IIsup3.hkl ] Contains datablock II

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