A purple odyssey: synthesis and structure of 3-amino-4-hy-droxy-6-oxo-cyclo-hexa-2,4-dien-1-iminium chloride monohydrate.
In the cation of the title hydrated mol-ecular salt, C6H7N2O2 (+)·Cl(-)·H2O, the six-membered ring shows unequal bond lengths consistent with delocalization of electrons over two separate 6π systems with single bonds between them. In the crystal, the components are linked by N-H⋯Cl, N-H⋯O, O-H⋯Cl and O-H⋯O hydrogen bonds, generating double layers propagating in (100).
Department of Chemistry, University of Aberdeen, Aberdeen AB24 3UE, Scotland.
M John
MJ
Plater
Department of Chemistry, University of Aberdeen, Aberdeen AB24 3UE, Scotland.
William T A
WT
Harrison
anti-aromatic; conjugation; crystal structure; hydrogen bonds; layered structure