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Crystal structure of catena-poly[[di-aqua-cobalt(II)]-bis-[μ-5-(4-carb-oxy-ylato-phenyl)picolinato]-κ(3) N,O (2):O (5);κ(3) O (5):N,O (2)-[di-aqua-cobalt(II)]-μ-1-[4-(1H-imidazol-1-yl)phen-yl]-1H-imidazole-κ(2) N (3):N (3')].

ABSTRACT: The asymmetric unit of the title polymeric Co(II) complex, [Co2(C13H7NO4)2(C12H10N4)(H2O)4] n , contains a Co(II) cation, a 5-(4-carboxyl-atophen-yl)picolinate dianion, two coordination water mol-ecules and half of 1-[4-(1H-imidazol-1-yl)phen-yl]-1H-imidazole ligand. The Co(II) cation is coordinated by two picolinate dianions, two water mol-ecules and one 1-[4-(1H-imidazol-1-yl)phen-yl]-1H-imidazole mol-ecule in a distorted N2O4 octa-hedral coordination geometry. The two picolinate dianions are related by an inversion centre and link two Co(II) cations, forming a binuclear unit, which is further bridged by the imidazole mol-ecules, located about an inversion centre, into the polymeric chain propagating along the [-1-11] direction. In the crystal, the three-dimensional supra-molecular architecture is constructed by O-H⋯O hydrogen bonds between the coordinating water mol-ecules and the non-coordinating carboxyl-ate O atoms of adjacent polymeric chains.

PROVIDER: S-EPMC4518948 | BioStudies |

REPOSITORIES: biostudies

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Project description:The reactions of N-heterocyclic carbene CuI and AgI halides with potassium thio- or seleno-cyanate gave unexpected products. The attempted substitution reaction of bromido-(1,3-dibenzyl-4,5-di-phenyl-imidazol-2-yl-idene)silver (NHC*-Ag-Br) with KSCN yielded bis-[bis-(1,3-dibenzyl-4,5-di-phenyl-imidazol-2-yl-idene)silver(I)] tris-(thio-cyanato)-argentate(I) diethyl ether disolvate, [Ag(C29H24N2)2][Ag(NCS)3]·2C4H10O or [NHC*2Ag]2[Ag(SCN)3]·2Et2O, (1), while reaction with KSeCN led to bis-(?-1,3-dibenzyl-4,5-diphenyl-2-seleno-imidazole-?2 Se:Se)bis-[bromido-(1,3-dibenzyl-4,5-diphenyl-2-seleno-imid-azole-?Se)silver(I)] di-chloro-methane hexa-solvate, [Ag2Br2(C29H24N2Se)4]·6CH2Cl2 or (NHC*Se)4Ag2Br2·6CH2Cl2, (2), via oxidation of the NHC* fragment to 2-seleno-imidazole. This oxidation was observed again in the reaction of NHC*-Cu-Br with KSeCN, yielding catena-poly[[[(1,3-dibenzyl-4,5-diphenyl-2-seleno-imidazole-?Se)copper(I)]-?-cyanido-?2 C:N] aceto-nitrile monosolvate], {[Cu(CN)(C29H24N2Se)]·C2H3N} n or NHC*Se-CuCN·CH3CN, (3). Compound (1) represents an organic/inorganic salt with AgI in a linear coordination in each of the two cations and in a trigonal coordination in the anion, accompanied by diethyl ether solvent mol-ecules. The tri-blade boomerang-shaped complex anion [Ag(SCN)3]2- present in (1) is characterized by X-ray diffraction for the first time. Compound (2) comprises an isolated centrosymmetric mol-ecule with AgI in a distorted tetra-hedral BrSe3 coordination, together with di-chloro-methane solvent mol-ecules. Compound (3) exhibits a linear polymeric 1 ?[Cu-C?N-Cu-] chain structure with a seleno-imidazole moiety additionally coordinating to each CuI atom, and completed by aceto-nitrile solvent mol-ecules. Electron densities associated with an additional ether solvent mol-ecule in (1) and two additional di-chloro-methane solvent mol-ecules in (2) were removed with the SQUEEZE procedure [Spek (2015 ?). Acta Cryst. C71, 9-18] in PLATON.

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Crystal structure of catena-poly[[di-aqua-cobalt(II)]-bis-[μ-5-(4-carb-oxy-ylato-phenyl)picolinato]-κ(3) N,O (2):O (5);κ(3) O (5):N,O (2)-[di-aqua-cobalt(II)]-μ-1-[4-(1H-imidazol-1-yl)phen-yl]-1H-imidazole-κ(2) N (3):N (3')].

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