Supramolecular isomers of Metal-Organic Frameworks derived from a partially flexible ligand with distinct binding motifs

by R.G. AbdulHalim, A. Shkurenko, M.H. Alkordi, M. Eddaoudi
Year: 2016 DOI: 10.1021/acs.cgd.5b01307

Extra Information

Cryst. Growth, Des. 16 (2), 722–727, (2016)


Three novel metal-organic frameworks (MOFs) were isolated upon reacting heterofunctional ligand 4-(pyrimidin-5-yl)benzoic acid (4,5-pmbc) with mixed valence Cu(I,II) under solvothermal conditions. X-ray crystal structural analysis reveals that the first compound is a layered structure composed of one type of inorganic building block, dinuclear paddlewheel [Cu2(O2C-)4], which is linked through 4,5-pmbc ligands. The two other supramolecular isomers are composed of the same Cu(II) dinuclear paddlewheel and a dinuclear Cu2I2 cluster, which are linked via the 4,5-pmbc linkers to yield two different 3-periodic frameworks with underlying topologies related to lvt and nbo. The observed structural diversity in these structures is due to the distinct coordination modes of the two coordinating moieties (the carboxylate group on the phenyl ring and the N-donor atoms from the pyrimidine moiety).


Benzoic acid Carboxylation Copper compounds crystal structure Crystalline materials Isomers Ligands Organometallics Supramolecular chemistry