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  • Title: Hydrogen-bonded chains of rings in methyl 4-[(5-methyl-1H-pyrazol-3-yl)amino]-3-nitrobenzoate and hydrogen-bonded sheets in methyl 1-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboxylate.
    Author: Portilla J, Mata EG, Nogueras M, Cobo J, Low JN, Glidewell C.
    Journal: Acta Crystallogr C; 2007 Jan; 63(Pt 1):o38-41. PubMed ID: 17206051.
    Abstract:
    Molecules of methyl 4-[(5-methyl-1H-pyrazol-3-yl)amino]-3-nitrobenzoate, C12H12N4O4, (I), exhibit a polarized (charge-separated) structure in the nitroaniline portion. The molecules are linked into chains of edge-fused R(2)2(16) and R(2)2(22) rings by a combination of N-H...O(carbonyl) and C-H...O(nitro) hydrogen bonds. Methyl 1-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole-5-carboxylate, C13H12N4O2, (II), which is readily formed from (I) by reduction followed by ring formation, crystallizes with Z' = 2 in the space group P-1. Each of the two independent molecular types is linked into sheets of R(4)4(28) rings by a combination of N-H...N and C-H...O(carbonyl) hydrogen bonds.
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