Abstract
Our work in the area of synthesis of polynuclear manganese complexes and their magnetic properties led to the synthesis and crystallization of the title compound, [Mn7(C8H9NO3)4(C8H10NO3)4(C2H5O)2(C7H5O2)2O2]·8C2H5OH. Herein, we report the molecular and crystal structure of the title compound, which was synthesized by the reaction of Mn(C6H5COO)2 with pyridoxine (PNH2, C8H11NO3) followed by the addition of tetra-methyl-ammonium hydroxide (TMAOH). The core of this centrosymmetric complex is a cage-like structure consisting of six MnIII ions and one MnII ion bound together through Mn-O bonds. The compound crystallizes in hydrogen-bonded layers formed by O-H⋯N hydrogen bonds involving the aromatic amine group of the ligand PN2- with the neighboring O atoms from the PNH- ligand. The crystal structure has large voids present in which highly disordered solvent mol-ecules (ethanol) sit. A solvent mask was calculated and 181 electrons were found in a volume of 843 Å3 in one void per triclinic unit cell. This is consistent with the presence of seven ethanol mol-ecules per formula unit, which accounts for 182 electrons per unit cell. Additionally, one ethanol mol-ecule was found to be ordered in the crystal.
Highlights
Our work in the area of synthesis of polynuclear manganese complexes and their magnetic properties led to the synthesis and crystallization of the title compound, [Mn7(C8H9NO3)4(C8H10NO3)4(C2H5O)2(C7H5O2)2O2]Á8C2H5OH
We report the molecular and crystal structure of the title compound, which was synthesized by the reaction of Mn(C6H5COO)2 with pyridoxine (PNH2, C8H11NO3) followed by the addition of tetramethylammonium hydroxide (TMAOH)
The compound crystallizes in hydrogen-bonded layers formed by O—HÁ Á ÁN hydrogen bonds involving the aromatic amine group of the ligand PN2À with the neighboring O atoms from the PNHÀ ligand
Summary
Symmetry codes: (i) Àx þ 1; Ày; Àz þ 2; (ii) x; y; z À 1; (iii) Àx þ 1; Ày þ 1; Àz þ 1. We explore the coordination chemistry of pyridoxine (PNH2, IUPAC name: 5-hydroxy-6-methyl-3,4pyridinedimethanol), a water-soluble, naturally occurring vitamer of Vitamin B6 involved in the metabolism of all three macronutrients, namely proteins, lipids, and carbohydrates This ligand plays the pivotal role as a linker (Stouder et al, 2017). Mn1 is further connected to Mn4 via a bridging -O (O3) from the alkoxide arm of a PNHÀ group and a 3-O atom (O1) from the alkoxide arm of a PN2À group. Inspection of the crystal packing of the complex shows that the Mn7 unit relates to its four neighboring units by O—HÁ Á ÁN hydrogen bonds involving the aromatic amine (N1, N3) group of the ligand PN2À with the neighboring O atoms (O15, O14). One ethanol molecule O16/C42/C43 was found to be ordered in the crystal
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