Crystal structure of 2-amino-5-nitro-pyridinium sulfamate.

ABSTRACT: The title mol-ecular salt, C5H6N3O2 (+) ·H2NO3S(-), was obtained from the reaction of sulfamic acid with 2-amino-5-nitro-pyridine. A proton transfer from sulfamic acid to the pyridine N atom occurred, resulting in the formation of a salt. As expected, this protonation leads to the widening of the C-N-C angle of the pyridine ring, to 122.9?(3)°, with the pyridinium ring being essentially planar (r.m.s. deviation = 0.025?Å). In the crystal, the ion pairs are joined by three N-H?O and one N-H?N hydrogen bonds in which the pyridinium N atom and the amino N atom act as donors, and are hydrogen bonded to the carboxyl-ate O atoms and the N atom of the sulfamate anion, thus generating an R (3) 3(22) ring motif. These motifs are linked by further N-H?O hydrogen bonds enclosing R (3) 3(8) loops, forming sheets parallel to (100). The sheets are linked via weak C-H?O hydrogen bonds, forming a three-dimensional structure. The O atoms of the nitro group are disordered over two sets of sites with a refined occupancy ratio of 0.737?(19):0.263?(19).

SUBMITTER: Rajkumar MA 

PROVIDER: S-EPMC4384627 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature