THE CRYSTAL-STRUCTURE OF 2-AMINO-5,5-BIS(BETA-CYANOETHYL)-1,2-PYRROLENINE N-OXIDE MONOHYDRATE

2-Amino-5,5'-di(beta-cyanoethyl)-1,2-pyrrolenine N-oxide monohydrate, C10H14N4O . H2O, crystallizes from MeCN in space group P2(1)2(1)2(1) W ith a = 7.0007(5), b = 8.2998(6), c = 20.8418(13) Angstrom, V = 1211.0 (2) Angstrom(3), Z = 4. The structure was refined to R = 0.034 and R(W ) 0.044 for 2325 observed reflections. The pyrrolenine ring adopts a n early planar conformation, with maximum deviation from planarity 0.089 (2) Angstrom. The N-O distance is 1.345(2) Angstrom. The water molecul e bridges two pyrrolenine molecules via hydrogen bonds to their N-oxid e oxygen atoms, and also accepts a hydrogen bond from the NH2 group of another pyrrolenine molecule.