Tetraaquabis[4-(4H-1,2,4-triazol-4-yl)benzoato-κN1]manganese(II) decahydrate

Ying-Ai Piao,Zhen-Yu Xuan

doi:10.1107/s1600536811025335

Ying-Ai Piao, Zhen-Yu Xuan

Open Access

https://doi.org/10.1107/s1600536811025335

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Abstract

In the title compound, [Mn(C9H6N3O2)2(H2O)4]·10H2O, the MnII ion is coordinated by two N atoms from two 4-(4H-1,2,4-triazol-4-yl)benzoate ligands and four water molecules in a distorted octahedral geometry. The MnII ion and two coordinated water molecules lie on a twofold rotation axis. The water molecules are involved in O—H⋯N and O—H⋯O hydrogen bonds with the triazole N atoms and carboxylate O atoms, yielding a three-dimensional supramolecular network. π–π interactions between the benzene rings [centroid–centroid distance = 3.836 (9) Å] are observed.

Highlights

H atoms treated by a mixture of independent and constrained refinement max = 0.27 e Å3
MnII ion is coordinated by two N atoms from two 4-(4H-1,2,4triazol-4-yl)benzoate ligands and four water molecules in a distorted octahedral geometry
The MnII ion and two coordinated water molecules lie on a twofold rotation axis

Summary

Bruker APEX CCD diffractometer

H atoms treated by a mixture of independent and constrained refinement max = 0.27 e Å3. Key indicators: single-crystal X-ray study; T = 76 K; mean (C–C) = 0.002 Å; R factor =. 0.029; wR factor = 0.073; data-to-parameter ratio = 13.4. MnII ion is coordinated by two N atoms from two 4-(4H-1,2,4triazol-4-yl)benzoate ligands and four water molecules in a distorted octahedral geometry. The MnII ion and two coordinated water molecules lie on a twofold rotation axis. H O hydrogen bonds with the triazole N atoms and carboxylate O atoms, yielding a three-dimensional supramolecular network. – interactions between the benzene rings [centroid–centroid distance = 3.836 (9) Å] are observed

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