Open AccessComplex Network of Hydrogen Bonds in 3‐Aminopyrazole‐4‐carboxylic Acid. Erratum
Author(s) -
Dobson A. J.,
Gerkin R. E.
Publication year - 1998
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
eISSN - 1600-5759
pISSN - 0108-2701
DOI - 10.1107/s0108270198003369
Subject(s) - hydrogen bond , carboxylic acid , chemistry , polymer chemistry , organic chemistry , molecule
3-Aminopyrazole-4-carboxylic acid, C4H5N3O2, crystallized in the non-centrosymmetric space group P21 in the zwitterionic form. Intermolecular N--H...O hydrogen bonds with N...O distances of 2.768 (2) and 2.747 (2) A link molecules into two sets of chains propagating along [110] and [110]. The two sets of chains are crosslinked by strong hydrogen bonds. A complex network of hydrogen bonds ensues. There is a single intramolecular hydrogen bond. The pyrazole core is closely planar; the dihedral angle between the best-fit core planes of the molecules making up the two chains is 82.2 (1) degrees. The dihedral angles between the core plane and the planes of the carboxylate group and the amino group are in the region of 2 and 37 degrees, respectively.