Crystal structure of a new supramolecular Ni(II) N 6 -benzylaminopurine compound

A new mononuclear Ni(II) N 6 -benzylaminopurine supramolecule [Ni(6-BA-H 2 ) 2 (H 2 O) 4 ]·(R) 2 ·4H 2 O ( 1 ) (6-BA = N 6 -benzylaminopurine (C 5 H 2 N 3 NH)(NH)CH 2 (C 6 H 5 ), H 3 R = 5-sulfosalicylic acid (C 6 H 3 )CO 2 H· (OH)SO 3 H) is firstly synthesized by the volatile method. Compound 1 possesses a 3D supramolecular structure built via H-bonds and π-π stacking interactions. In the structure, a mononuclear [Ni(6-BA-H 2 ) 2 (H 2 O) 4 ] 6+ cation, in which the Ni(II) ion is 6-coordinated, bears six positive charges, and a fully deprotonated R 3− anion is located in the void surrounding the mononuclear cation to balance the charge.