Investigation of nitro–nitrito photoisomerization: crystal structure of trans-chloridonitro(1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)cobalt(III) chloride

Abstract

The reaction cavity of the nitro group in the crystal of the title compound, [CoCl(NO2)(C10H24N4)]Cl, (I), was investigated to confirm that it offers sufficient free space for linkage isomerization to occur in accordance with the observed photochemical reactivity. The complex cation has crystallographic 2/m symmetry and the nitro and chloro ligands at the trans positions are statistically disordered. The complete cyclam ligand is generated by symmetry from a quarter of the molecule. In the crystal of (I), the complex cations and Cl− ions are linked into a three-dimensional network by N—H...Cl(counter-ion) hydrogen bonds.

Keywords

• crystal structure
• nitro-nitrito photo-isomerization
• reaction cavity