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Crystal structure of bis-(2-{[1,1-bis-(hy-droxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-meth-oxy-phenolato)manganese(IV) 0.39-hydrate.

Buvaylo EA, Vassilyeva OY, Skelton BW - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: Allg.The current structure that was determined at 100 K reveals a lengthening of the c cell parameter compared with the published one due to the incorporation of the partial occupancy water mol-ecule.The coordination environment of Mn(IV) at 100 K displays a difference in one of the two Mn-O bond lengths, compared with the room-temperature structure.

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Affiliation: Department of Chemistry, Taras Shevchenko National University of Kyiv, 64/13 Volodymyrska Street, Kyiv 01601, Ukraine.

ABSTRACT
The title compound, [Mn(C12H15NO5)2]·0.39H2O, is a 0.39 hydrate of the isostructural complex bis-(2-{[1,1-bis-(hy-droxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-meth-oxy-phenolato)manganese(IV) that has previously been reported by Back, Oliveira, Canabarro & Iglesias [Z. Anorg. Allg. Chem. (2015), 641, 941-947], based on room-temperature data. The current structure that was determined at 100 K reveals a lengthening of the c cell parameter compared with the published one due to the incorporation of the partial occupancy water mol-ecule. The title compound crystallizes in the tetra-gonal chiral space group P41212; the neutral [Mn(IV)(C12H15NO5)2] mol-ecule is situated on a crystallographic C 2 axis. The overall geometry about the central manganese ion is octa-hedral with an N2O4 core; each ligand acts as a meridional ONO donor. The coordination environment of Mn(IV) at 100 K displays a difference in one of the two Mn-O bond lengths, compared with the room-temperature structure. In the crystal, the neutral mol-ecules are stacked in a helical fashion along the c-axis direction.

No MeSH data available.


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Crystal packing of (1) showing the helical arrangement of MnIV(H2L)2 mol­ecules in the c-axis direction. H atoms are not shown.
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fig3: Crystal packing of (1) showing the helical arrangement of MnIV(H2L)2 mol­ecules in the c-axis direction. H atoms are not shown.

Mentions: In the crystal lattice, individual [MnIV(H2L)2] mol­ecules are stacked in a helical fashion along the c axis, as shown in Fig. 3 ▸, with the minimum Mn⋯Mn distances inside a column being 10.28 Å. Mol­ecules that are translated by one unit cell in the a-axis direction [Mn⋯Mn distance equals the a-axial length, 8.0953 (2) Å] are inter­twined by inter­molecular hydrogen bonds between the hydroxyl groups and phenolic and meth­oxy oxygen atoms. There is also a possible hydrogen-bonding inter­action between one hydroxyl group (O113) and the solvent water mol­ecule (O1) considering the O113⋯O1 distance of 2.17 (2) but as the H atoms on O1 could not be located this contact could not be confirmed. Details of the hydrogen bonding are given in Table 2 ▸.


Crystal structure of bis-(2-{[1,1-bis-(hy-droxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-meth-oxy-phenolato)manganese(IV) 0.39-hydrate.

Buvaylo EA, Vassilyeva OY, Skelton BW - Acta Crystallogr E Crystallogr Commun (2015)

Crystal packing of (1) showing the helical arrangement of MnIV(H2L)2 mol­ecules in the c-axis direction. H atoms are not shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645066&req=5

fig3: Crystal packing of (1) showing the helical arrangement of MnIV(H2L)2 mol­ecules in the c-axis direction. H atoms are not shown.
Mentions: In the crystal lattice, individual [MnIV(H2L)2] mol­ecules are stacked in a helical fashion along the c axis, as shown in Fig. 3 ▸, with the minimum Mn⋯Mn distances inside a column being 10.28 Å. Mol­ecules that are translated by one unit cell in the a-axis direction [Mn⋯Mn distance equals the a-axial length, 8.0953 (2) Å] are inter­twined by inter­molecular hydrogen bonds between the hydroxyl groups and phenolic and meth­oxy oxygen atoms. There is also a possible hydrogen-bonding inter­action between one hydroxyl group (O113) and the solvent water mol­ecule (O1) considering the O113⋯O1 distance of 2.17 (2) but as the H atoms on O1 could not be located this contact could not be confirmed. Details of the hydrogen bonding are given in Table 2 ▸.

Bottom Line: Allg.The current structure that was determined at 100 K reveals a lengthening of the c cell parameter compared with the published one due to the incorporation of the partial occupancy water mol-ecule.The coordination environment of Mn(IV) at 100 K displays a difference in one of the two Mn-O bond lengths, compared with the room-temperature structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Taras Shevchenko National University of Kyiv, 64/13 Volodymyrska Street, Kyiv 01601, Ukraine.

ABSTRACT
The title compound, [Mn(C12H15NO5)2]·0.39H2O, is a 0.39 hydrate of the isostructural complex bis-(2-{[1,1-bis-(hy-droxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-meth-oxy-phenolato)manganese(IV) that has previously been reported by Back, Oliveira, Canabarro & Iglesias [Z. Anorg. Allg. Chem. (2015), 641, 941-947], based on room-temperature data. The current structure that was determined at 100 K reveals a lengthening of the c cell parameter compared with the published one due to the incorporation of the partial occupancy water mol-ecule. The title compound crystallizes in the tetra-gonal chiral space group P41212; the neutral [Mn(IV)(C12H15NO5)2] mol-ecule is situated on a crystallographic C 2 axis. The overall geometry about the central manganese ion is octa-hedral with an N2O4 core; each ligand acts as a meridional ONO donor. The coordination environment of Mn(IV) at 100 K displays a difference in one of the two Mn-O bond lengths, compared with the room-temperature structure. In the crystal, the neutral mol-ecules are stacked in a helical fashion along the c-axis direction.

No MeSH data available.


Related in: MedlinePlus