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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Redetermination of the crystal structure of di­methyl­bis­[2,4-penta­nedionato(1−)-κ2O2,O4]tin(IV)
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Redetermination of the crystal structure of di­methyl­bis­[2,4-penta­nedionato(1−)-κ2O2,O4]tin(IV)

机译：重新测定二甲基双[2,4-戊二酮基（1-）-κ2O2，O4]锡（IV）的晶体结构

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摘要

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. 12, 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.
机译：从在100 K记录的CCD数据中重新确定标题化合物[Sn（CH3）2（C5H7O2）2]或SnMe2（acac）2基本上证实了先前基于室温下记录的集成膜数据的研究[Miller＆Schlemper （1972）。 Inorg。化学12，677–681]，但显示出a轴的显着收缩[7.12（1）> 6.7694（4）Å]。该分子属于点组Ci，其SnIV原子位于反转中心。 SnIV原子显示出一个稍微扭曲的八面体配位球，其甲基处于反式位置，并且Sn-C键长为2.1152（2）Å，可以用作八面体配位的SnIV原子的Sn-CH3键的标准值。涉及乙酰丙酮配体的两个羰基的Sn-O键的长度相等[2.180（1）和2.183（1）Å]，C = O [1.273（1）和1.274（1）Å]和C-C键长[1.393（2）和1.400（2）Å]。乙酰丙酮酸酯配体明显偏离平面度，两个丙酮部分的最小二乘平面之间的二面角为5.57°（9）°。两个对称相关的乙酰丙酮化物配体的四个O原子排列成几乎二次矩形。弱的C-H = O相互作用会巩固晶体堆积。

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