Abstract
In the title compound, [Mn(C10H7N6)2(H2O)4]·2H2O, the complex unit comprises an Mn2+ ion, coordinated by two imidazole N atoms from cis-related monodentate 5-[4-(imidazol-1-yl)phenyl]tetrazolide ligands and four water molecules, together with two water molecules of solvation. The Mn2+ ion lies on a twofold rotation axis and has a slightly distorted octahedral geometry. The molecules are connected by O—H⋯N and O—H⋯O hydrogen bonds involving both coordinated and solvent water molecules, generating a three-dimensional structure. Two C atoms of the imidazole ring of the ligand are each disordered over two sites with occupancy factors of 0.75 and 0.25.
Highlights
In the title compound, [Mn(C10H7N6)2(H2O)4]Á2H2O, the complex unit comprises an Mn2+ ion, coordinated by two imidazole N atoms from cis-related monodentate 5-[4(imidazol-1-yl)phenyl]tetrazolide ligands and four water molecules, together with two water molecules of solvation
The molecules are connected by O—HÁ Á ÁN and O—HÁ Á ÁO hydrogen bonds involving both coordinated and solvent water molecules, generating a threedimensional structure
Symmetry codes: (ii) −x+1, −y+1, −z+2; (iii) x−1/2, −y+3/2, z+1/2; (iv) −x+1, y, −z+3/2; (v) −x+3/2, −y+3/2, −z+2; (vi) x, −y+1, z+1/2
Summary
Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.004 A; disorder in main residue; R factor = 0.037; wR factor = 0.099; data-to-parameter ratio = 13.5. In the title compound, [Mn(C10H7N6)2(H2O)4]Á2H2O, the complex unit comprises an Mn2+ ion, coordinated by two imidazole N atoms from cis-related monodentate 5-[4(imidazol-1-yl)phenyl]tetrazolide ligands and four water molecules, together with two water molecules of solvation. The Mn2+ ion lies on a twofold rotation axis and has a slightly distorted octahedral geometry. The molecules are connected by O—HÁ Á ÁN and O—HÁ Á ÁO hydrogen bonds involving both coordinated and solvent water molecules, generating a threedimensional structure. Two C atoms of the imidazole ring of the ligand are each disordered over two sites with occupancy factors of 0.75 and 0.25
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