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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.

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.


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The mol­ecular structure of the title complex, showing the atom-numbering scheme. Non-H atoms are shown with displacement ellipsoids at the 50% probability level. Labelled atoms are related to unlabelled atoms by the symmetry operation y, x, −z + 1.
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fig1: The mol­ecular structure of the title complex, showing the atom-numbering scheme. Non-H atoms are shown with displacement ellipsoids at the 50% probability level. Labelled atoms are related to unlabelled atoms by the symmetry operation y, x, −z + 1.

Mentions: The title compound (1) crystallizes in the tetra­gonal chiral space group P41212; the neutral [MnIV(C12H15NO5)2] mol­ecule is situated on a crystallographic C2 axis, hence the asymmetric unit comprises one half of the metal complex and the O atom of a water mol­ecule with occupancy 0.195 (15) (Fig. 1 ▸). The overall geometry about the central metal ion is distorted octa­hedral with an N2O4 core; each ligand acts as a meridional ONO donor. The MnIV—N(imine) [1.992 (5) Å], MnIV–O(phenolate) [1.939 (4) Å] and MnIV—O(alkoxo) [1.871 (4) Å] bond lengths in (1) are strictly comparable to those for several reported MnIV complexes containing similar ligation (Kessissoglou et al., 1987 ▸; Pradeep et al., 2004 ▸). The MnO4 equatorial fragment is approximately square planar, the maximum deviation from the mean plane being about 0.11 Å. The ranges of cis and trans angles at the metal atom are 84.14 (18)–98.44 (18) and 168.6 (3)–172.89 (18)°, respectively (Table 1 ▸). The Mn—N distance is longer than the average Mn—O distance by approximately 0.1 Å. This is significantly larger than the difference in covalent radii of N and O. Thus, the primary distortion of the MnN2O4 octa­hedron is axial elongation along the MnN2 axis.


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)

The mol­ecular structure of the title complex, showing the atom-numbering scheme. Non-H atoms are shown with displacement ellipsoids at the 50% probability level. Labelled atoms are related to unlabelled atoms by the symmetry operation y, x, −z + 1.
© Copyright Policy - open-access
Related In: Results  -  Collection

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

fig1: The mol­ecular structure of the title complex, showing the atom-numbering scheme. Non-H atoms are shown with displacement ellipsoids at the 50% probability level. Labelled atoms are related to unlabelled atoms by the symmetry operation y, x, −z + 1.
Mentions: The title compound (1) crystallizes in the tetra­gonal chiral space group P41212; the neutral [MnIV(C12H15NO5)2] mol­ecule is situated on a crystallographic C2 axis, hence the asymmetric unit comprises one half of the metal complex and the O atom of a water mol­ecule with occupancy 0.195 (15) (Fig. 1 ▸). The overall geometry about the central metal ion is distorted octa­hedral with an N2O4 core; each ligand acts as a meridional ONO donor. The MnIV—N(imine) [1.992 (5) Å], MnIV–O(phenolate) [1.939 (4) Å] and MnIV—O(alkoxo) [1.871 (4) Å] bond lengths in (1) are strictly comparable to those for several reported MnIV complexes containing similar ligation (Kessissoglou et al., 1987 ▸; Pradeep et al., 2004 ▸). The MnO4 equatorial fragment is approximately square planar, the maximum deviation from the mean plane being about 0.11 Å. The ranges of cis and trans angles at the metal atom are 84.14 (18)–98.44 (18) and 168.6 (3)–172.89 (18)°, respectively (Table 1 ▸). The Mn—N distance is longer than the average Mn—O distance by approximately 0.1 Å. This is significantly larger than the difference in covalent radii of N and O. Thus, the primary distortion of the MnN2O4 octa­hedron is axial elongation along the MnN2 axis.

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