In 2007,Portilla, Jaime; Mata, Ernesto G.; Nogueras, Manuel; Cobo, Justo; Low, John N.; Glidewell, Christopher published 《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》.Acta Crystallographica, Section C: Crystal Structure Communications published the findings.COA of Formula: C8H6FNO4 The information in the text is summarized as follows:
Mols. of Me 4-[(5-Me-1H-pyrazol-3-yl)amino]-3-nitrobenzoate, C12H12N4O4, (I), exhibit a polarized (charge-separated) structure in the nitroaniline portion. The mols. are linked into chains of edge-fused R22(16) and R22(22) rings by a combination of N-H···O(carbonyl) and C-H···O(nitro) H bonds. Me 1-(5-Me-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 P1̅. Each of the 2 independent mol. types is linked into sheets of R44(28) rings by a combination of N-H···N and C-H···O(carbonyl) H bonds. After reading the article, we found that the author used Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9COA of Formula: C8H6FNO4)
Methyl 4-fluoro-3-nitrobenzoate(cas: 329-59-9) belongs to methyl benzoate. Methyl benzoate reacts at both the ring and the ester, depending on the substrate. Electrophiles attack the ring, illustrated by acid-catalysed nitration with nitric acid to give methyl 3-nitrobenzoate.COA of Formula: C8H6FNO4Methyl 4-fluoro-3-nitrobenzoate is used to prepare dimethyl 3-nitro-3′,4-oxydibenzoate by reacting with 3-hydroxy-benzoic acid methyl ester.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics