1-(2,3-Dimethylphenyl)piperazine-1,4-diium tetrachloridocuprate(II)

Abstract

In the title salt, (C12H20N2)[CuCl4], the CuII atom occupies a general position in a flattened tetra­hedral environment by Cl ligands, characterized by Cl—Cu—Cl angles of 134.04 (3) and 137.18 (4)°. The six-membered piperazinediium ring adopts a chair conformation. The organic cation and inorganic anion inter­act through N—H⋯Cl and C—H⋯Cl hydrogen bonds, forming a three-dimensional network.

Crystal and geometry-optimized structure, Hirshfeld surface analysis and spectroscopic studies of tetrachlorocuprate and nitrate salts of 1-(2-fluorophenyl)piperazine cations, (C10H15FN2)[CuCl4] (I) and (C10H14FN2)[NO3] (II)

“…As for the organic cations, the phenyl rings in (I) and (II) exhibit a regular spatial configuration with normal C-C distances and C-C-C, angles (Tables 2 and 3). The C-C bond lengths vary from 1.369(3) to 1.400(1) Å which are between a single and double bond and agree with those in the literature [57]. For the piperazine-1,4-diium ring, the C-N and C-C bond lengths are in the range 1.461 to 1.518 Å.…”

“…In the majority of cases the anion is of MCl4 2type, where M is a metal; in particular, three structures contain tetrachlorocuprate ions, i.e. NIKQUV [57], OGINUP [58] and PHPIPZ [59]. The τ4(Cu) value for these three complexes has been calculated to be 0.60, 0.51 and 0.54 for NIKQUV, OGINUP and PHPIPZ, respectively, indicating a distortion from a regular tetrahedron geometry slightly higher than the one observed in (I).…”