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Redetermination of the crystal structure of di ­ methyl ­ bis ­ [2,4-penta ­ nedionato(1 − )- κ 2 O 2 , O 4 ]tin(IV)

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ABSTRACT

12: The redetermination of the title compound, [Sn(CH3)2(C5H7O2)2] or SnMe2(acac)2, from CCD data recorded at 100 K basically confirms the previous study based on integrated film data recorded at room temperature [Miller & Schlemper (1972 ▸). Inorg. Chem., 677–681], but reveals a remarkable shrinkage of the a axis [7.12 (1) > 6.7694 (4) Å]. The mol­ecule belongs to point group Ci with the SnIV atom on a centre of inversion. The SnIV atom shows a slightly distorted octa­hedral coordination sphere with the methyl groups in trans positions and a Sn—C bond length of 2.115 (2) Å which may serve as a standard value for an Sn—CH3 bond of an octa­hedrally coordinated SnIV atom. The Sn—O bonds involving the two carbonyl groups of the acetyl­acetonate ligand are of equal length [2.180 (1) and 2.183 (1) Å], as are the C=O [1.273 (1) and 1.274 (1) Å] and C—C bond lengths [1.393 (2) and 1.400 (2) Å]. The acetyl­acetonate ligand deviates considerably from planarity, with a dihedral angle of 5.57 (9)° between the least-squares planes of the two acetone moieties. The four O atoms of the two symmetry-related acetyl­acetonate ligands are arranged in a nearly quadratic rectangle. Weak C—H⋯O inter­actions consolidate the crystal packing.

No MeSH data available.


Predominant O⋯H—C contacts (blue dotted lines) of O atoms with the methyl H atoms of the acetyl­acetonate groups of neighbouring mol­ecules. The central mol­ecule is drawn in space-filling mode, while neighbouring mol­ecules are drawn in the stick-model mode visualizing the delocalized π system of the acetyl­acetonate ligands.
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fig4: Predominant O⋯H—C contacts (blue dotted lines) of O atoms with the methyl H atoms of the acetyl­acetonate groups of neighbouring mol­ecules. The central mol­ecule is drawn in space-filling mode, while neighbouring mol­ecules are drawn in the stick-model mode visualizing the delocalized π system of the acetyl­acetonate ligands.

Mentions: In the absence of classical H-donor groups, inter­molecular inter­actions are restricted to van der Waals and weak O⋯H—C inter­actions. The most prominent ones are associated with the methyl hydrogen atoms H42 and H51 of the acetyl­acetonate ligand as they inter­act simultaneously with both oxygen atoms of neighbouring mol­ecules [C42⋯O2i = 2.906 Å, C42⋯O1ii = 2.852 Å, C51⋯O2iii = 2.797 Å, H51⋯O1iv = 2.850 Å; symmetry codes: (i) x, y, 1 + z; (ii) 1 − x, 1 − y,1 − z; (iii)  + x,  − y,  + z; (iv)  − x, − + y,  + z] (Fig. 4 ▸). These inter­actions are completed by a third O⋯H—C contact of similar length [H2⋯O2iii = 2.893 Å, H43⋯O1v = 2.992 Å, symmetry code: (v) 2 − x, 1 − y, 1 − z] for each oxygen atom. In summary, the inter­molecular contacts result in a columnar arrangement of the mol­ecules parallel to the a axis (Fig. 5 ▸).


Redetermination of the crystal structure of di ­ methyl ­ bis ­ [2,4-penta ­ nedionato(1 − )- κ 2 O 2 , O 4 ]tin(IV)
Predominant O⋯H—C contacts (blue dotted lines) of O atoms with the methyl H atoms of the acetyl­acetonate groups of neighbouring mol­ecules. The central mol­ecule is drawn in space-filling mode, while neighbouring mol­ecules are drawn in the stick-model mode visualizing the delocalized π system of the acetyl­acetonate ligands.
© Copyright Policy - open-access
Related In: Results  -  Collection

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Show All Figures
getmorefigures.php?uid=PMC5382601&req=5

fig4: Predominant O⋯H—C contacts (blue dotted lines) of O atoms with the methyl H atoms of the acetyl­acetonate groups of neighbouring mol­ecules. The central mol­ecule is drawn in space-filling mode, while neighbouring mol­ecules are drawn in the stick-model mode visualizing the delocalized π system of the acetyl­acetonate ligands.
Mentions: In the absence of classical H-donor groups, inter­molecular inter­actions are restricted to van der Waals and weak O⋯H—C inter­actions. The most prominent ones are associated with the methyl hydrogen atoms H42 and H51 of the acetyl­acetonate ligand as they inter­act simultaneously with both oxygen atoms of neighbouring mol­ecules [C42⋯O2i = 2.906 Å, C42⋯O1ii = 2.852 Å, C51⋯O2iii = 2.797 Å, H51⋯O1iv = 2.850 Å; symmetry codes: (i) x, y, 1 + z; (ii) 1 − x, 1 − y,1 − z; (iii)  + x,  − y,  + z; (iv)  − x, − + y,  + z] (Fig. 4 ▸). These inter­actions are completed by a third O⋯H—C contact of similar length [H2⋯O2iii = 2.893 Å, H43⋯O1v = 2.992 Å, symmetry code: (v) 2 − x, 1 − y, 1 − z] for each oxygen atom. In summary, the inter­molecular contacts result in a columnar arrangement of the mol­ecules parallel to the a axis (Fig. 5 ▸).

View Article: PubMed Central - HTML - PubMed

ABSTRACT

12: The redetermination of the title compound, [Sn(CH3)2(C5H7O2)2] or SnMe2(acac)2, from CCD data recorded at 100 K basically confirms the previous study based on integrated film data recorded at room temperature [Miller & Schlemper (1972 ▸). Inorg. Chem., 677–681], but reveals a remarkable shrinkage of the a axis [7.12 (1) > 6.7694 (4) Å]. The mol­ecule belongs to point group Ci with the SnIV atom on a centre of inversion. The SnIV atom shows a slightly distorted octa­hedral coordination sphere with the methyl groups in trans positions and a Sn—C bond length of 2.115 (2) Å which may serve as a standard value for an Sn—CH3 bond of an octa­hedrally coordinated SnIV atom. The Sn—O bonds involving the two carbonyl groups of the acetyl­acetonate ligand are of equal length [2.180 (1) and 2.183 (1) Å], as are the C=O [1.273 (1) and 1.274 (1) Å] and C—C bond lengths [1.393 (2) and 1.400 (2) Å]. The acetyl­acetonate ligand deviates considerably from planarity, with a dihedral angle of 5.57 (9)° between the least-squares planes of the two acetone moieties. The four O atoms of the two symmetry-related acetyl­acetonate ligands are arranged in a nearly quadratic rectangle. Weak C—H⋯O inter­actions consolidate the crystal packing.

No MeSH data available.