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

J. Portilla, E. G. Mata, M. Nogueras, J. Cobo, John N. Low, C. Glidewell

Research output: Contribution to journalArticle

4 Citations (Scopus)

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 R22( 22) rings by a combination of N-H center dot center dot center dot O(carbonyl) and C-H center dot center dot center dot 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 P1. Each of the two independent molecular types is linked into sheets of R-4(4)(28) rings by a combination of N-H center dot center dot center dot N and C-H center dot center dot center dot O(carbonyl) hydrogen bonds.

Original languageEnglish
Pages (from-to)O38-O41
Number of pages4
JournalActa Crystallographica Section C, Crystal Structure Communications
VolumeC63
DOIs
Publication statusPublished - 2007

Keywords

  • X-ray
  • diffraction

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