Di-μ-chlorido-bis[(2,2′-bipyridine-5,5′-dicarboxylic acid-κ²N,N′)chloridocopper(II)] dimethylformamide tetrasolvate

Abstract

Key indicators: single-crystal X-ray study; T = 100 K; mean (C-C) = 0.003 Å; disorder in solvent or counterion; R factor = 0.029; wR factor = 0.068; data-toparameter ratio = 16.4.In the title compound, [Cu 2 Cl 4 (C 12 H 8 N 2 O 4 ) 2 ]Á4C 3 H 7 NO, which contains a chloride-bridged centrosymmetric Cu II dimer, the Cu II atom is in a distorted square-pyramidal 4 + 1 coordination geometry defined by the N atoms of the chelating 2,2 0 -bipyridine ligand, a terminal chloride and two bridging chloride ligands. Of the two independent dimethylformamide molecules, one is hydrogen bonded to a single -COOH group, while one links two adjacent -COOH groups via a strong accepted O-HÁ Á ÁO and a weak donated C(O)-HÁ Á ÁO hydrogen bond. Two of these last molecules and the two -COOH groups form a centrosymmetric hydrogenbonded ring in which the CH O and the -COOH groups by disorder adopt two alternate orientations in a 0.44:0.56 ratio. These hydrogen bonds link the Cu II complex molecules and the dimethylformamide solvent molecules into infinite chains along [111]. Slipped -stacking interactions between two centrosymmetric pyridine rings (centroid-centroid distance = 3.63 Å ) contribute to the coherence of the structure along [011]. Related literature

Controlled Orthogonal Self‐Assembly of Heterometal‐Decorated Coordination Cages

“…[17] Experimental Section Synthesis of H 2 bpydc-CuCl 2 H 2 bpydc-CuCl 2 was synthesized according to the literature. [18] 2,2bipyridine-5,5-dicarboxylic acid (H 2 bpydc) (40 mg, 0.16 mmol) and copper chloride dihydrate (60 mg, 0.35 mmol) were added into DMF (6 mL), and the mixture was heated until completely dissolved. Slow bench cooling to RT yielded the expected product.…”

Exploring structure and reactivity of Cu sites in functionalized UiO-67 MOFs

“…For these reasons, multiple attempts were made to synthesize complexes of Cu(II) with two Cl ligands and either 2,2'-bipyridine (bpy) or H2bpydc as ligands, to be used as reference compounds for the XAS measurements. However, these were difficult to procure in the required quantity and purity, and the product was a mixture of polymorphs, or dimeric species as previously reported [96]. Another reference compound based on tert-butylbipyridine (tBbpyCuCl2) was hence chosen, and prepared as described in Section 2.1.…”

Crystal structure of a chloride-bridged copper(II) dimer: piperazine-1,4-dium bis(di-μ-chlorido-bis[(4-carboxypyridine-2-carboxylato-κ2N,O2)chloridocuprate(II)]

“…There are several copper(II) dimeric compounds in which the copper atoms are bridged by chlorido ligands (Marsh et al, 1983;Puschmann et al, 2001;Li et al, 2006;Lee, et al, 2008;Han et al, 2008;Øien et al, 2013;Choubey et al, 2015;Golchoubian & Nateghi 2016;Liu et al, 2009). A search of the Cambridge Structural Database (Version 5.38, November 2016; Groom et al, 2016), revealed numerous di--chlorido bridged copper(II) compounds constructed with ligands having -N,O-donor atoms (Kapoor et al, 2002(Kapoor et al, , 2004Damous et al, 2013;Lumb et al, 2013;Smolentsev et al, 2014;Qureshi et al, 2016).…”