Methyl 4-[(1-acetyl-3-tert-butyl-1H-pyrazol-5-yl)amino]-3-nitrobenzoate

Acta Crystallogr C. 2011 Jan;67(Pt 1):o26-8. doi: 10.1107/S0108270110047955. Epub 2010 Dec 8.

Abstract

In the molecule of the title compound, C(17)H(20)N(4)O(5), there are two intramolecular N-H···O hydrogen bonds having amidic and nitro-group O atoms as the acceptors and together forming a three-centre N-H···(O)(2) system. These interactions appear to play an important role in controlling the relative orientation of the pyrazole and aryl rings. The bond distances provide evidence for some polarization of the electronic structure. Molecules are linked into simple chains by a single C-H···O hydrogen bond.