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Crystal structure of tetra ­ aqua ­ bis ­ (pyrimidin-1-ium-4,6-diolato- κ O 4 )manganese(II)

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ABSTRACT

The MnII ion in the structure of the mononuclear title compound, [Mn(C4H3N2O2)2(H2O)4], is situated on an inversion center and is coordinated by two O atoms from two deprotonated 4,6-di­hydroxy­pyrimidine ligands and by four O atoms from water mol­ecules giving rise to a slightly distorted octa­hedral coordination sphere. The complex includes an intra­molecular hydrogen bond between an aqua ligand and the non-protonated N ring atom. The extended structure is stabilized by inter­molecular hydrogen bonds between aqua ligands, by hydrogen bonds between N and O atoms of the ligands of adjacent mol­ecules, and by hydrogen bonds between aqua ligands and the non-coordinating O atom of an adjacent mol­ecule.

No MeSH data available.


Diagram showing how the four sets of chains linked by hydrogen bonds gives rise to the overall packing. Hydrogen bonds are shown as dashed lines.
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fig4: Diagram showing how the four sets of chains linked by hydrogen bonds gives rise to the overall packing. Hydrogen bonds are shown as dashed lines.

Mentions: Inter­molecular hydrogen bonds between the aqua ligands of adjacent mol­ecules are present. Hydrogen bonds also occur between the non-coordinating NH+ and O− atoms of two DHP ligands in adjacent mol­ecules and between an aqua ligand and the non-coordinating oxygen atom of an adjacent mol­ecule (Table 1 ▸). This gives rise to a complex three-dimensional network, which is best analyzed in terms of graph-set theory (Etter et al., 1990 ▸). There are four inter­penetrating chains of hydrogen bonds. The first has a C(4)[(8)] motif and is shown in Fig. 1 ▸. The second has a C(6)[(6)(8)] motif and is shown in Fig. 2 ▸. The chain depicted in Fig. 3 ▸ has a C(6)[(8)] motif and is duplicated in two mutually perpendicular directions, thus making up four chains altogether. The overall packing is shown in Fig. 4 ▸.


Crystal structure of tetra ­ aqua ­ bis ­ (pyrimidin-1-ium-4,6-diolato- κ O 4 )manganese(II)
Diagram showing how the four sets of chains linked by hydrogen bonds gives rise to the overall packing. Hydrogen bonds are shown as dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC5382635&req=5

fig4: Diagram showing how the four sets of chains linked by hydrogen bonds gives rise to the overall packing. Hydrogen bonds are shown as dashed lines.
Mentions: Inter­molecular hydrogen bonds between the aqua ligands of adjacent mol­ecules are present. Hydrogen bonds also occur between the non-coordinating NH+ and O− atoms of two DHP ligands in adjacent mol­ecules and between an aqua ligand and the non-coordinating oxygen atom of an adjacent mol­ecule (Table 1 ▸). This gives rise to a complex three-dimensional network, which is best analyzed in terms of graph-set theory (Etter et al., 1990 ▸). There are four inter­penetrating chains of hydrogen bonds. The first has a C(4)[(8)] motif and is shown in Fig. 1 ▸. The second has a C(6)[(6)(8)] motif and is shown in Fig. 2 ▸. The chain depicted in Fig. 3 ▸ has a C(6)[(8)] motif and is duplicated in two mutually perpendicular directions, thus making up four chains altogether. The overall packing is shown in Fig. 4 ▸.

View Article: PubMed Central - HTML - PubMed

ABSTRACT

The MnII ion in the structure of the mononuclear title compound, [Mn(C4H3N2O2)2(H2O)4], is situated on an inversion center and is coordinated by two O atoms from two deprotonated 4,6-di­hydroxy­pyrimidine ligands and by four O atoms from water mol­ecules giving rise to a slightly distorted octa­hedral coordination sphere. The complex includes an intra­molecular hydrogen bond between an aqua ligand and the non-protonated N ring atom. The extended structure is stabilized by inter­molecular hydrogen bonds between aqua ligands, by hydrogen bonds between N and O atoms of the ligands of adjacent mol­ecules, and by hydrogen bonds between aqua ligands and the non-coordinating O atom of an adjacent mol­ecule.

No MeSH data available.