Synthesis, X-ray Structure Analysis and Spectroscopic Characterization of trans-Aquabis(µ-benzoato-κ2 O:O′) bis[µ-N,N′-bis(4-methoxyphenyl) formamidinato-κ2 N:N′] dimolybdenum(II)

Abstract

The title compound, trans-Mo2(DAniF)2(OOCC6H5)2(H2O) (I) has a quadruply bonded Mo2 4+ unit equatorially coordinated by two N,N′-bis(4-methoxyphenyl)formamidinate (referred as DAniF) ligands and two benzoate (OOCC6H5) groups in transverse, and axially coordinated by one aqua oxygen atom. The compound crystallizes in the space group C2/c with one molecule in the asymmetric unit and features a Mo–Mo bond length of 2.0983(4) A, which is typical for dimolybdenum quadruple bonds. In the crystal, the offset π–π stacking between pairs of phenyl rings creating a one-dimensional linear chain perpendicular to the Mo–Mo directions, with a distance between phenyl rings of 3.44 A and the center-to-center distance of 3.83 A. The coordinated water oxygen atoms act as donors and uncoordinated methoxyl group oxygen atoms act as acceptors in intermolecular O–H⋯O hydrogen bonds. π–π stacking between phenyl rings assemble the molecules into a three-dimensional framework. The offset π–π stacking between phenyl rings of quadruply bonded Mo2 4+ paddle-wheel molecules create a one-dimensional linear chain.