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A new organic-inorganic hybrid material with copper(II) as the transition metal, piperazine as the organic component and mixed bromide/chloride as halide ions, (C 4 H 12 N 2 )[CuBr 4 ] 0.42 [CuCl 4 ] 0.58 ·2H 2 O ( 1 ), has been prepared and crystallographically investigated by single-crystal X-ray diffraction. Unlike the parent chloride or bromide-based materials which adopt the monoclinic system, this mixed halide hybrid material crystallizes in the space group  Pnma  of the orthorhombic system with the following parameters:  a  = 12.3496(6) Å,  b  = 16.3147(11) Å,  c  = 6.4415(3) Å, V = 1397.83(12) Å 3  and Z = 4. Its 0-D crystal packing is built of isolated entities, a copper(II) ion surrounded by four chloride/bromide ions [CuBr 4 ] 2-  and [CuCl 4 ] 2- , a diprotonated diamine (C 4 H 12 N 2 ) 2+  and free water molecules. Additionally, these entities are linked through different types of intermolecular hydrogen bonds N-H…Br, N-H…Cl, N-H…Ow, Ow-H…Br, Ow-H…Cl, and weak non-covalent interactions C-H…Br and C-H…Cl [Ow = water oxygen]. The thermal decomposition of the precursor proceeds through four stages leading to copper(II) oxide as a final product. The title compound possesses antimicrobial and anti-tumoral effects comparable to two previously described compounds, as assessed by  in silico  examinations. Compound  1  inhibited in a dose dependent manner, the proliferation of gram negative and positive bacteria and exhibited a microbial lipase inhibition from  Candida rugosa .

journal of coordination chemistry

The effect of partial substitution of chloride by bromide in the 0-D hybrid material (C 4 H 12 N 2 )[CuCl 4 ]·2H 2 O: Structural, vibrational, thermal,  in silico  and biological characterizations