Crystal structures of bis-[2-(pyridin-2-yl)phenyl-κ2N,C1]rhodium(III) complexes containing an aceto-nitrile or monodentate thyminate(1?) ligand

Sakate M.; Hosoda H.; Suzuki T.

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Crystal structures of bis-[2-(pyridin-2-yl)phenyl-κ2N,C1]rhodium(III) complexes containing an aceto-nitrile or monodentate thyminate(1?) ligand

机译：含乙腈或单齿胸苷（1？）配体的双-[2-（吡啶-2-基）苯基-κ2N，C1]铑（III）配合物的晶体结构

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The crystal structures of bis-[2-(pyridin-2-yl)phen-yl]rhodium(III) complexes with the metal in an octahedral coordination containing chloride and aceto-nitrile ligands, namely (OC-6-42)-aceto-nitrile-chlorido-bis-[2-(pyridin-2-yl)phenyl-κ2N,C1]rhodium(III), [RhCl(C11H8N)2(CH3CN)] (1), thyminate(1?) and methanol, namely (OC-6-42)-methanol(5-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-1-ido-κN1)bis-[2-(pyridin-2-yl)phenyl-κ2N,C1]rhodium(III), [Rh(C11H8N)2(C5H5N2O2)(CH3OH)]·CH3OH·0.5H2O (2), and thy-min-ate(1?) and ethanol, namely (OC-6-42)-ethanol(5-methyl-2,4-dioxo-1,2,3,4-tetra-hydro-pyrimidin-1-ido-κN1)bis[2-(pyridin-2-yl)phenyl-κ2N,C1]rhodium(III), [Rh(C11H8N)2(C5H5N2O2)(C2H5OH)]·C2H5OH (3), are reported. The aceto-nitrile complex, 1, is isostructural with the IrIII analog. In complexes 2 and 3, the monodeprotonated thyminate (Hthym?) ligand coordinates to the RhIII atom through the N atom, and the resulting Rh—N(Hthym) bond lengths are relatively long [2.261?(2) and 2.252?(2)?? for 2 and 3, respectively] as compared to the Rh—N bonds in the related thyminate complexes. In each of the crystals of 2 and 3, the complexes are linked via a pair of inter-molecular N—H?O hydrogen bonds between neighbouring Hthym? ligands, forming an inversion dimer. A strong intra-molecular O—H?O hydrogen bond between the thyminate(1?) and alcohol ligands in mutually cis positions to each other is also observed.

机译：双[2-（吡啶-2-基）苯基-基]铑（III）配合物的晶体结构，其八面体配位态为氯化物和乙酰腈配体，即（OC-6-42）-乙酰-腈-氯代-双-[2-（吡啶-2-基）苯基-κ2N，C1]铑（III），[RhCl（C11H8N）2（CH3CN）]（1），胸腺嘧啶（1？）和甲醇，即（OC-6-42）-甲醇（5-甲基-2,4-二氧-1,2,3,4-四氢-嘧啶-1-基-κN1）双-[2-（吡啶-2-基）苯基-κ2N，C1]铑（III），[Rh（C11H8N）2（C5H5N2O2）（CH3OH）]·CH3OH·0.5H2O（2）和百里香酸盐（1？）和乙醇，即（OC） -6-42）-乙醇（5-甲基-2,4-二氧-1,2,3,4-四氢嘧啶-1-基-κN1）双[2-（吡啶-2-基）苯基报道了-κ2N，C1]铑（III），[Rh（C11H8N）2（C5H5N2O2）（C2H5OH）]·C2H5OH（3）。乙腈配合物1与IrIII类似物是同构的。在配合物2和3中，单去质子化的胸腺嘧啶（Hthym？）配体通过N原子与RhIII原子配位，所得Rh-N（Hthym）键长相对较长[2.261？（2）和2.252？（2） ??分别与相关的胸苷络合物中的Rh-N键相比）。在2和3的每一个晶体中，配合物通过相邻的Hthym 2之间的一对分子间NH 3 O氢键连接。配体，形成反向二聚体。还观察到在彼此相互顺式位置的胸腺嘧啶（1α）和醇配体之间的强分子内OH-O氢键。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2016年第4期|共5页
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Sakate M.; Hosoda H.; Suzuki T.;
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Crystal structures of bis-[2-(pyridin-2-yl)phenyl-κ2N,C1]rhodium(III) complexes containing an aceto-nitrile or monodentate thyminate(1?) ligand

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