Synthesis and Crystal Structure of a New Mononuclear Copper Complex

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A new kind of Cu (II) complex [Cu(tpmb)2Cl2]·CH3OH·H2O (tpmb = 1,3,5-tri(2-pyrimidinyl)sulfanylmethyl-2,4,6-trimethylbenzene) was synthesized, and its structure has been determined by X-ray single-crystal diffraction. It crystallizes in the triclinic, space group P 1 with a = 8.8397(2), b = 13.327(3), c = 13.926(3) A, α = 63.27(3), β = 86.96(3), r = 80.68(3)°, V = 1445.6(5) A3, C49H51Cl2CuN12O2S6, Mr= 1166.82,Z=1, F(000) = 604, Dc = 1.340 g/cm3, μ = 0.735 mm-1, R = 0.0545 and wR = 0.1575 for 4521 observed reflections (I > 2σ(I)). X-ray analysis reveals that the Cu (II) ion is coordinated by two Cl- anions and two nitrogen atoms from different pyrimidine groups, forming a square structure. A new kind of Cu (II) complex [Cu (tpmb) 2Cl2] .CH3OH.H2O (tpmb = 1,3,5-tri (2- pyrimidinyl) sulfanylmethyl-2,4,6-trimethylbenzene was synthesized, and its It crystallizes in the triclinic space group P 1 with a = 8.8397 (2), b = 13.327 (3), c = 13.926 (3) A, α = 63.27 (4), β = 86.96 (3), r = 80.68 (3) °, V = 1445.6 (5) A3, C49H51Cl2CuN12O2S6, Mr = 1166.82, Z = 1, F (000) = 604, Dc = 1.340 g / cm3, μ = 0.735 mm-1, R = 0.0545 and wR = 0.1575 for 4521 observed reflections (I> 2σ (I)). X- ray analysis reveals that the Cu (II) ion is coordinated by two Cl- anions and two nitrogen atoms from different pyrimidine groups, forming a square structure.
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