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Journal of Structural Chemistry

2013 year, number 1

CRYSTAL STRUCTURE OF A NEW SUPRAMOLECULAR Ni(II) N6-BENZYLAMINOPURINE COMPOUND

M. Xia, C.-L. Wei
Keywords: Ni(II) N6-benzylaminopurine compound, crystal structure, supramolecule

Abstract

A new mononuclear Ni(II) N6-benzylaminopurine supramolecule [Ni(6-BA-H2)2(H2O)4]⋅(R)2⋅4H2O (1) (6-BA = N6-benzylaminopurine (C5H2N3NH)(NH)CH2(C6H5), H3R = 5-sulfosalicylic acid (C6H3)CO2H(OH)SO3H) 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-H2)2(H2O)4]6+ cation, in which the Ni(II) ion is 6-coordinated, bears six positive charges, and a fully deprotonated R3− anion is located in the void surrounding the mononuclear cation to balance the charge.