Single-crystal structure of a pyridine sorption complex of zeolite HZSM-5 (H-MFI)

An accurate determination of the crystal structure of a pyridine sorption complex of zeolite HZSM-5 (H-MFI) has been performed using single-crystal X-ray diffraction. The structure was refined in space group Pn21a. The structural analysis confirms the presence of three sorption sites for pyridine molecules in the channel systems of H-MFI. Refinement of site occupancy factors leads to 7.4 pyridine molecules per unit cell, 4.0 (Py1) at the channel intersections, 1.8(1) (Py2) in the sinusoidal channels, and 1.6(1) (Py3) in the straight channels. There appears to be an interaction between the molecules at the channel intersections and those in the straight channels that stabilizes the packing arrangement.