A Novel Complex of Na(I)-Nitronyl Nitroxide [Na(NIT-1'-MeBzIm)3]ClO4: Synthesis and Crystal Structure

A novel complex [Na(NIT-1’-MeBzIm)3]ClO4 (NIT-1’-MeBzIm = 2-{2’-[(l’- methyl)benzimidazolyl]}-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) has been prepared and structurally characterized by elemental analysis, IR spectra and X-ray diffraction methods. The title complex crystallizes in trigonal, space group P 3 and Z = 2. Crystal data: C45H57ClN12NaO10, Mr = 984.47, a = 13.9411(8), b = 13.9411(8), c = 14.8622(16), γ = 120°, V = 2501.5(3)3, Dc = 1.307 g/cm3, μ(MoKα) = 0.152 mm-1, F(000) = 1038, R = 0.0637 and wR = 0.1813 for 1957 observed reflections with I > 2σ(I). X-ray analysis reveals that the Na(I) ion is six-coordinated with three NIT-1’-MeBzIm radicals. As we know, three radicals coordinating to the Na(I) ion in the main group by a chelate way is the first example. The Na(I) ion resides in a distorted octahedron with a facial configuration. Meanwhile, the intermolecular weak interactions result in a 2-D double layer conformation where the uncoordinated perchlorate anions are inserted in the packing space and take part in the H-bond interactions, and each complex is connected with six neighboring complexes and three perchlorate anions.