MSP 46P Crystal structures of Co(II) and Mn(II) complexes with 2,6-dimethoxybenzoic acid.
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MALAESTEAN, Yurii, FILIPPOVA, Irina, BACA, Svetlana. MSP 46P Crystal structures of Co(II) and Mn(II) complexes with 2,6-dimethoxybenzoic acid.. In: Materials Science and Condensed Matter Physics, 13-17 septembrie 2010, Chișinău. Chișinău, Republica Moldova: Institutul de Fizică Aplicată, 2010, Editia 5, p. 113.
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Materials Science and Condensed Matter Physics
Editia 5, 2010
Conferința "Materials Science and Condensed Matter Physics"
Chișinău, Moldova, 13-17 septembrie 2010

MSP 46P Crystal structures of Co(II) and Mn(II) complexes with 2,6-dimethoxybenzoic acid.


Pag. 113-113

Malaestean Yurii1, Filippova Irina2, Baca Svetlana2
 
1 Institute of Chemistry,
2 Institute of Applied Physics
 
 
Disponibil în IBN: 16 aprilie 2021


Rezumat

Two new coordination compounds [Co(dmb)2(pyz)2·2H2O] (1) and [Mn3(dmb)6(H2O)4(bpy)3Et]n (2) (where dmb is 2,6-dimethoxybenzoate, pyz is pyrazine molecule, bpy is 4,4′-bipyridine, Et is ethanol) have been synthesized and characterized by X-ray analysis. Crystal structure of 1 is composed of neutral mononuclear complexes. Cobalt atom has a centrosymmetric N2O4 environment. Two dmb ligands are coordinated to the Co atom in a monodentate fashion with bond distances 2.083(1) Å, two positions are occupied by nitrogen atoms of aromatic amines with the bond distance 2.185(1) Å. The coordination sphere is completed by oxygen atoms of two water molecules (2.114(1) Å). The uncoordinated carboxylate oxygen atom of dmb forms intramolecular O-H···O hydrogen bond with water molecule, giving rise to 6-membered hydrogen bonded ring. In crystal the complexes are combined by intermolecular O-H···N hydrogen bonds into chains along the y-axes of the unit cell of 1 (Fig. 1). The shortest Co···Co distance is 8.040(1) Å. A possible p-p interaction between the antiparallel molecules of pyrazine (the distance between the centroids of overlapping rings is 3.584 Å) additionally joins the complexes in chain. There are only van der Waals and weak C-H···O interactions between the chains. Compound 2 consists of infinite 1-D polymeric chains formed due to bridging function of 4,4′-bpy (Fig. 2) The amine molecule as an endo-bidentate ligand bridges Mn atoms at the shortest distance of 11.474(2) Å. The asymmetric part of unit cell in 2 contains four Figure 1 c ry s tallographycally independent Mn atoms with different coordination geometries. Each manganese centre is coordinated by a pair of dmb and pair of bpy ligands. The dimethoxybenzoate molecules act as monodentate ligands except one with the bidentate chelate fashion of the carboxyl group. In this case the sixth position in Mn polyhedron is occupied by water molecule. Chelate coordination leads to significant distortion in coordination sphere of corresponding Mn atom. The Mn-Ocarb bond distances range from 2.127(2) Å to 2.469(2) Å and the Ocarb-Mn-Ocarb angle is 56.11(9)º. The bond distances and angles for other three Mn centres do not significantly differ from each other. The fifth and sixth positions in Mn octahedrons are occupied by two water molecules or oxygen atoms of two ethanol molecules. The coordinated water molecules are involved in the formation of intramolecular hydrogen bonds with uncoordinated oxygen atoms of benzoate and as well as in the hydrogen bonding with analogous atoms of adjacent polymeric chains. As a consequence, the chains are joined into layers. Weak CH… O hydrogen bonds stabilize the three dimensional architecture of 2.figureFigure. 2