Aj. Dobson et Re. Gerkin, COMPLEX NETWORK OF HYDROGEN-BONDS IN 3-AMINOPYRAZOLE-4-CARBOXYLIC ACID, Acta crystallographica. Section C, Crystal structure communications, 54, 1998, pp. 253-256
3-Aminopyrazole-4-carboxylic acid, C4H5N3O2, crystallized in the non-c
entrosymmetric space group P2(1) in the zwitterionic form. Intermolecu
lar N-H ... O hydrogen bonds with N ... O distances of 2.768 (2) and 2
.747 (2) Angstrom link molecules into two sets of chains propagating a
long [1 (1) over bar 0] and [110]. The two sets of chains are crosslin
ked by strong hydrogen bonds. A complex network of hydrogen bonds ensu
es. 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 dihe
dral angles between the core plane and the planes of the carboxylate g
roup and the amino group are in the region of 2 and 37 degrees, respec
tively.