首页> 外文OA文献 >Hydrogen-bonding patterns in ferrocene derivatives: structures of 1,1'-diphenyl-1,1'-(1,1'-ferrocenediyl)diethanol and 1,1'-(1,1'-ferrocenediyl)diethanol
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Hydrogen-bonding patterns in ferrocene derivatives: structures of 1,1'-diphenyl-1,1'-(1,1'-ferrocenediyl)diethanol and 1,1'-(1,1'-ferrocenediyl)diethanol

机译:二茂铁衍生物中的氢键模式:1,1'-二苯基-1,1' - (1,1'-二茂铁二基)二乙醇和1,1' - (1,1'-二茂铁二基)二乙醇的结构

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摘要

Racemic 1, l'-diphenyl- 1,1'-( 1, l'-ferrocenediyl)diethanol,ud[Fe{(CsH4)C(Ph)MeOH}2] (I), crystallizes as hydrogen-udbonded dimeric aggregates with the Fe atoms onudtwofold crystallographic axes and the four O atoms defininguda folded trapezium with O...O distances of 2.784 (2)ud(x2), 2.877(3) and 2.795 (4)A. The four hydroxyl Hudatoms are disordered equally over two orientations suchudthat there are two half-occupancy H-atom sites betweenudeach hydrogen-bonded O-atom pair. Racemic 1,1'-(1, l'-udferrocenediyl)diethanol, [Fe{(CsH4)C(H)MeOH}2] (II),crystallizes as hydrogen-bonded centrosymmetric dimers,udwith O...O distances of 2.778 (2) and 2.764 (2) A and ordered hydroxyl H atoms. In (I), the dimers are formedudfrom either two RR or two SS molecules, while in (II) theuddimers each contain one RR and one SS molecule.
机译:外消旋体1,l'-二苯基-1,1'-(1,1,l'-二茂铁基)二乙醇 ud [Fe {(CsH4)C(Ph)MeOH} 2](I)结晶为氢/未键合的二聚体聚集的金属原子在双结晶轴上,四个O原子定义了梯形梯形,O.O距离为2.784(2) ud(x2),2.877(3)和2.795(4)A。四个羟基氢原子在两个方向上均等地无序,使得每个氢键结合的氢原子对之间有两个半占据的氢原子位点。外消旋1,1'-(1,l'-二茂铁基二基)二乙醇,[Fe {(CsH4)C(H)MeOH} 2](II),结晶为氢键结合的中心对称二聚体,与O ... O距离2.778(2)和2.764(2)A和有序的羟基H原子。在(I)中,二聚体由两个RR或两个SS分子形成,而在(II)中,二聚体各自包含一个RR和一个SS分子。

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