Crystal structure of <i>cis</i>(<i>S</i>),<i>trans</i>(<i>O</i>,<i>N</i> <sub>bpy</sub>)-(2,2′-bipyridyl-κ<sup>2</sup> <i>N</i>,<i>N</i>′)bis(dimethyl sulfoxide-κ<i>S</i>)[phenyl(pyridin-2-yl)methanone-κ<sup>2</sup>
Crystal structure of <i>cis</i>(<i>S</i>),<i>trans</i>(<i>O</i>,<i>N</i> <sub>bpy</sub>)-(2,2′-bipyridyl-κ<sup>2</sup> <i>N</i>,<i>N</i>′)bis(dimethyl sulfoxide-κ<i>S</i>)[phenyl(pyridin-2-yl)methanone-κ<sup>2</sup>
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晶体结构<i>cis</i>(<i>S</i>),<i>trans</i>(<i>O</i>,<i>N</i> <sub >bpy</sub>)-(2,2′-联吡啶-κ<sup>2</sup> <i>N</i>,<i>N</i>′)双(二甲基亚砜-κ) <i>S</i>)[苯基(吡啶-2-基)甲烷-κ<sup>2</sup>
DOI：
10.1107/s2056989022010258
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发表时间：
2022
期刊：
影响因子：
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通讯作者：
Nagao Noriharu
中科院分区：
文献类型：
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作者：
Toyama Mari;Nagao Noriharu
报道了标题配合物[Ru(C10H8N2)(C12H9NO)(C2H6OS)2](CF3O3S)2或顺式(S)，反式(O,Nbpy)-[Ru(bpy)(ppk)(dmso-S)2](OTf)2 {bpy = 2,2 ' -联吡啶，ppk =苯基-2-吡啶酮[IUPAC命名法：苯基（吡啶-2-基）甲烷]，dmso =二甲亚砜，OTf−=三氟甲磺酸}的分子和晶体结构。Ru2+离子具有扭曲的八面体几何结构，具有两个bypy N原子，ppk的N和O原子，以及两个顺式dmso-S配体的两个S原子。ppk的羰基O原子反式为bpy，吡啶基的N原子反式为dmso-S配体[trans（O,Nbpy）几何]。其中一个三氟甲烷磺酸阴离子在三个位置上是无序的，在改进模型中，其占有率分别为0.4、0.4和0.2。原无序与挤压[Spek(2015)]。Acta结晶。[71, 9-18]模型几乎相等，表明挤压模型和原无序模型都是令人满意的。
The molecular and crystal structures of the title complex, [Ru(C10H8N2)(C12H9NO)(C2H6OS)2](CF3O3S)2 or cis(S),trans(O,Nbpy)-[Ru(bpy)(ppk)(dmso-S)2](OTf)2 {bpy = 2,2′-bipyridine, ppk = phenyl-2-pyridyl ketone [IUPAC nomenclature: phenyl(pyridine-2-yl)methanone], dmso = dimethyl sulfoxide, and OTf− = trifluoromethanesulfonate}, are reported. The Ru2+ ion has a distorted octahedral geometry with two bpy N atoms, the N and O atoms of ppk, and two S atoms of two cis dmso-S ligands. The carbonyl O atom of ppk is trans to bpy, and the N atom of pyridyl is trans to the dmso-S ligand [trans(O,Nbpy) geometry]. One of the trifluoromethanesulfonate anions is disordered over three positions, with occupancies of 0.4, 0.4, and 0.2, respectively, in the refined model. The original disordered and SQUEEZE [Spek (2015). Acta Cryst. C71, 9–18] models were found to be almost equivalent, indicating that both the SQUEEZE and the original disordered model are satisfactory.