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首页> 外文期刊>Crystal growth & design >Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space Group P2(1)
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Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space Group P2(1)

机译:外消旋的三芳基甲醇衍生物结晶为Sohncke空间群P2(1)中具有对映体无序的手性晶体结构。

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The X-ray crystal structure of a racemic triarylcarbinol derivate ((+/-)-1) was determined. Compound (+/-)-1 crystallizes as a chiral structure in the noncentrosymmetric Sohncke space group P21 and the crystals show a special case of enantiomeric disorder with two molecules of opposite handedness sharing many of the atomic positions in the asymmetric unit. The corresponding (R)- and (S)-enantiomers of 1 were separated by chiral HPLC, and crystallized independently yielding single crystals of both of them. The X-ray diffraction analysis of the crystals allowed the determination of the absolute configuration of both enantiomers (R)-1 and (S)-1. Both enantiomers establish intermolecular hydrogen bonds in the solid state, which induce significant differences in their molecular arrangement when compared to racemic crystal (+/-)-1.
机译:测定外消旋三芳基甲醇衍生物((+/-)-1)的X射线晶体结构。化合物(+/-)-1在非中心对称的Sohncke空间群P21中结晶为手性结构,并且晶体显示出对映体无序的特殊情况,两个相反的惯性分子共享许多不对称单元中的原子位置。通过手性HPLC分离1的相应的(R)-和(S)-对映体,并独立地结晶,得到它们两者的单晶。晶体的X射线衍射分析允许确定两种对映异构体(R)-1和(S)-1的绝对构型。两种对映异构体均以固态形式建立分子间氢键,与外消旋晶体(+/-)-1相比,其分子排列方式产生显着差异。

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