cis-Diaquabis(di-2-pyrimidinyl sulfide-κ~2N,N) Cobalt(Ⅱ) Ditetrafluoridoborate: Lone Pair-aromatic a

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The title complex, [Co(DprS)2 (H2O)2]2(BF4)4 (DprS is di-2-pyrimidinyl sulfide), was obtained and characterized by elemental analysis, FT-IR and X-ray crystallography. The complex crystallizes in space group P21/c with a=11.742(1), b=22.439(2), c=20.538(2) , β=109.713(5)°, Z=4, V=5094.3(3)3 , Dc=1.692 g·cm-3 , μ=0.929 mm-1 , F(000)=2600, R=0.0756 and wR=0.1929. The asymmetric unit of the title complex is comprised of two isomeric cobalt(Ⅱ) centers (Co(1) and Co(2)) with a cis-[Co(DprS)2(H2O)2]2+ moiety. Each Co(Ⅱ) center exhibits a similar distorted N4O2-octahedral coordination geometry surrounded by a pair of DprS in a N,N’-chelate mode and two aqua ligands in a cis-relationship. Unconventional S···π(pyrimidinyl), N···π(pyrimidinyl), and anion(BF4-)···π(pyrimidinyl) are found to combine with the C H···F and O H···F interactions to stabilize a whole three-dimensional framework with the mononuclear units (Co(1) and Co(2)). The ligand conformation will be also discussed. The title complex, [Co (DprS) 2 (H2O) 2] 2 (BF4) 4 (DprS is di-2-pyrimidinyl sulfide) was obtained and characterized by elemental analysis, FT-IR and X-ray crystallography. The complex crystallizes in space group P21 / c with a = 11.742 (1), b = 22.439 (2), c = 20.538 (2) β, β = 109.713 (5) °, Z = 4, V = 5094.3 , Dc = 1.692 g · cm -3, μ = 0.929 mm -1, F (000) = 2600, R = 0.0756 and wR = 0.1929. The asymmetric unit of the two isomeric cobalt Co (1) and Co (2)) with a cis- [Co (DprS) 2 (H2O) 2] 2+ moiety. Each Co in a N, N’-chelate mode and two aqua ligands in a cis-relationship. Unconventional S pyrimidinyl, N-pyrimidinyl, and anion (BF4-) ) are found to combine with the CH ··· F and OH ··· F interactions to stabilize a whole three-dimensional framework with the mononuclear units (Co (1) and Co (2)). The ligand conformation will be also discussed.
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