Abstract
The title compound, (C3H7N6)2[Co(H2O)6][Co(C7H3NO4)2]2·4H2O, or (tataH)2[Co(H2O)6][Co(pydc)2]2·4H2O (where tata is 2,4,6-triamino-1,3,5-triazine and pydc is pyridine-2,6-dicarboxylic acid), was obtained by reaction of Co(NO3)2·6H2O with the proton-transfer compound (tataH)2(pydc) in aqueous solution. The [Co(pydc)2]2− anion is a six-coordinate CoII complex with a distorted octahedral coordination geometry. The structure also contains hexaaquacobalt(II) cations (site symmetry ), (tataH)+ cations and uncoordinated water molecules. The two(pydc)2− ligands in each [Co(pydc)2]2− anion are almost perpendicular to each other [dihedral angle between their mean planes = 82.3 (1)°]. There is extensive O—H⋯O, N—H⋯N, O—H⋯N and C—H⋯O hydrogen bonding in the structure, as well as π–π stacking between (pydc)2− ligands with an interplanar distance of 3.484 (15) Å.
Highlights
N3—H3CÁ Á ÁO3 N5—H5BÁ Á ÁO3ii N5—H5CÁ Á ÁN4ii N7—H7AÁ Á ÁO10ii N7—H7BÁ Á ÁO7i N8—H8Á Á ÁO8i O9—H9AÁ Á ÁN6ii O9—H9BÁ Á ÁO2iii
The two(pydc)2À ligands in each [Co(pydc)2]2À anion are almost perpendicular to each other [dihedral angle between their mean planes = 82.3 (1)]
There is extensive O— HÁ Á ÁO, N—HÁ Á ÁN, O—HÁ Á ÁN and C—HÁ Á ÁO hydrogen bonding in the structure, as well as – stacking between2À ligands with an interplanar distance of 3.484 (15) A
Summary
Key indicators: single-crystal X-ray study; T = 120 K; mean (C–C) = 0.002 A; R factor = 0.027; wR factor = 0.071; data-to-parameter ratio = 14.8. The title compound, (C3H7N6)2[Co(H2O)6][Co(C7H3NO4)2]2Á4H2O, or (tataH)2[Co(H2O)6][Co(pydc)2]2Á4H2O (where tata is 2,4,6-triamino-1,3,5-triazine and pydc is pyridine-2,6-dicarboxylic acid), was obtained by reaction of Co(NO3)2Á6H2O with the proton-transfer compound (tataH)2(pydc) in aqueous solution. The [Co(pydc)2]2À anion is a six-coordinate CoII complex with a distorted octahedral coordination geometry. The structure contains hexaaquacobalt(II) cations (site symmetry 1), (tataH)+ cations and uncoordinated water molecules. The two(pydc)2À ligands in each [Co(pydc)2]2À anion are almost perpendicular to each other [dihedral angle between their mean planes = 82.3 (1)]. There is extensive O— HÁ Á ÁO, N—HÁ Á ÁN, O—HÁ Á ÁN and C—HÁ Á ÁO hydrogen bonding in the structure, as well as – stacking between (pydc)2À ligands with an interplanar distance of 3.484 (15) A
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