N-monofunctionalized 1,4,7-triazacyclononane macrocycles as building blocks in inorganic crystal engineering

The syntheses of N-(3-prop-1-ene)-1,4,7-triazacyclononane molybdenum tricarbonyl (2), N-(4-but-1-ene)-1,4,7-triazacyclononane molybdenum tricarbonyl (3), N-(3-prop-1-ene)-1,4,7-triazacyclononane molybdenum trioxide (5), N-(4-but-1-ene)-1,4,7-triazacyclononane molybdenum trioxide (6), N-(hydroxyethyl)-1,4,7-triazacyclononane molybdenum trioxide (7), and N-(2-methylpyridyl)-1,4,7-triazacyclononane molybdenum trioxide (8) have been achieved. The objective of this work is to systematically vary the functionality of the pendant group in order to create different crystal packing in the solid state. This is evidenced in comparing the structures of 1,4,7-triazacyclononane molybdenum trioxide (4) and 5-8, which were determined using X-ray crystallography. The synthesis and characterization of the new ligand N-(2-methylpyridyl)-1,4,7-triazacyclononane (L5) is reported.