Crystal structure of catena-poly[[[di-aqua-bis-(2,4,6-tri-methyl-benzoato-?O)cobalt(II)]-?-aqua-?2O:O] dihydrate].

ABSTRACT: The asymmetric unit of the title one-dimensional polymeric compound, {[Co(C10H11O2)2(H2O)3]·2H2O} n , contains one CoII cation situated on a centre of inversion, one-half of a coordinating water mol-ecule, one 2,4,6-tri-methyl-benzoate (TMB) anion together with one coordinating and one non-coordinating water mol-ecule; the TMB anion acts as a monodentate ligand. In the anion, the carboxyl-ate group is twisted away from the attached benzene ring by 84.9?(2)°. The CoII atom is coordinated by two TMB anions and two water mol-ecules in the basal plane, while another water mol-ecule bridges the CoII atoms in the axial directions, forming polymeric chains running along [001]. The coordination environment for the CoII cation is a slightly distorted octa-hedron. The coordinating and bridging water mol-ecules link to the carboxyl-ate groups via intra- and inter-molecular O-H?O hydrogen bonds, enclosing S(6) ring motifs, while the coordinating, bridging and non-coordinating water mol-ecules link to the carboxyl-ate groups and the coordinating water mol-ecules link to the non-coordinating water mol-ecules via O-H?O hydrogen bonds, enclosing R22(8) and R33(8) ring motifs. Weak C-H?O and C-H?? inter-actions may further stabilize the crystal structure.

SUBMITTER: Hokelek T 

PROVIDER: S-EPMC5418789 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature