Three supramolecular compounds of 1,4-benzeneditetrazole (H 2 BDT): Syntheses, crystal structures, and crystal to crystal transformation

Abstract Three supramolecular compounds based on 1,4-benzeneditetrazole (H 2 BDT), (NH 4 ) 2 (BDT) ( 1 ), [Mg(H 2 O) 6 ](HBDT) 2 ·2H 2 O ( 2 ), and [Mg(CH 3 OH) 4 (H 2 O) 2 ](HBDT) 2 ·2CH 3 OH ( 3 ) have been solvothermally synthesized and structurally characterized by single-crystal/powder X-ray diffraction. Structural analyses indicated that these compounds are 3D supramolecular structures stabilized by electrostatic interactions and intermolecular hydrogen bonds. The crystal to crystal transformation between 2 and 3 were investigated. The result showed that 2 is readily transform to 3 after immersed in methanol solution, while 3 can not be converted to 2 after immersed in distilled water solution.