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Structures of 1-ferrocenyl-1-phenylethanol, ferrocenyl(diphenyl)methanol and ferrocene-1,1'-diylbis(diphenylmethanol)

机译:1-二茂铁基-1-苯基乙醇,二茂铁基(二苯基)甲醇和二茂铁-1,1'-二基双(二苯基甲醇)的结构

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摘要

Racemic 1-ferrocenyl- 1-phenylethanol, [(CsHs)Fe-\ud(CsHa)]CPhMeOH (I), crystallizes as discrete molecules\udwhich are not involved in hydrogen bondinog; the shortest\udintermolecular O-..O contact is 3.768(3) A and the hydroxyl\udH atom is orientated towards the unsubstituted cyclopentadienyl ring. Ferrocenyl(diphenyl)methanol,\ud[(CsHs)Fe(CsHa)]CPh2OH (II) is hydrogen bonded to\udform centrosynunetric dimers with O...O 2.816(1) and\udH...O 2.52 ]k. Ferrocene-l,l~-diylbis(diphenylmeth -\udanol), Fe[(CsHa)C(Ph)2COH]2 (III) crystallizes as a\uddimeric aggregate with the Fe atoms on twofold crystallographic symmetry axes and the four O atoms defining a folded trapezium with O...O 2.762(2), 2.714(2)\udand 2.865(2) A,. The four hydroxyl groups are disordered\udequally over two orientations such that there are two halfoccupancy H-atom sites between each hydrogen-bonded\udoxygen pair.
机译:外消旋的1-二茂铁基-1-苯基乙醇[[(CsHs)Fe- \ ud(CsHa)] CPhMeOH(I)结晶为不参与氢键合的离散分子\ ud。最短的\ udintermolecular O-.. O接触是3.768(3)A,并且羟基\ udH原子朝向未取代的环戊二烯基环取向。二茂铁基(二苯基)甲醇,\ ud [(CsHs)Fe(CsHa)] CPh2OH(II)通过O ... O 2.816(1)和\ udH ... O 2.52] k氢键合到\ udform中心型二聚物。二茂铁-1,1-二苯基双(二苯基甲基-\ udanol),Fe [(CsHa)C(Ph)2COH] 2(III)结晶为\ uddimeric聚集体,Fe原子在对称的两个对称轴上和四个O原子用O ... O 2.762(2),2.714(2)\ udand 2.865(2)A,定义折叠的梯形。四个羟基在两个方向上是无序的/等价的,使得在每个氢键键合的\双氧键对之间有两个半占据的H原子位点。

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