Molecular structure, spectroscopic properties, and Hirshfeld surface analysis of chlorobis( N-methyl-1,3-propanediamine)copper(II) tetrafluoroborate and azidobis(2,2-dimethyl-1,3-propanediamine)copper(II) azide

摘要

AbstractTwo new copper (II) complexes, [Cu(N-Metn)2Cl]BF4(1) and [Cu(Me2tn)2(N3)]N3(2) (N-Metn?=?N-methyl-1,3-propanediamine; Me2tn?=?2,2-dimethyl-1,3-propanediamine), have been prepared, fully characterized, and their structures established by X-ray single-crystal analysis from synchrotron diffraction data. For these complexes, the Cu(II) ions are five-coordinate in an axially elongated square-pyramidal environment, with the four amine N atoms at the equatorial positions and the Cl atom (1) or N atom of one azide (2) at an apical site. The CuN bond lengths for amine N atoms in the complex1(2.0198(13)–2.0735(12) A°) and complex2(2.0239(9)–2.0489(9) ?) are typical, but the axial ligands are coordinated with a CuCl bond length of 2.5962 (7) ? for complex1, and the CuN (azido) bond length is 2.1990 (10) ? for complex2, adopting square-planar geometry around the Cu(II) with four N atoms from twoN-Metn or Me2tn ligands. The crystals are stabilized by a three-dimensional network of intermolecular hydrogen bonds that are formed between the primary and secondary amine groups of theN-Metn ligands, the Cl ligands, and the F atoms of BF4?