Application of Wallach's rule in a comparison of the X-ray crystal structures of the racemate and the (S) enantiomer of (1-hydroxy-3-phenyl-2-propenyl) dimethylphosphonate

Blazis VJ; Koeller KJ; Rath NP; Spilling CD

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Application of Wallach's rule in a comparison of the X-ray crystal structures of the racemate and the (S) enantiomer of (1-hydroxy-3-phenyl-2-propenyl) dimethylphosphonate

机译：Wallach法则在外消旋物和（1-羟基-3-苯基-2-丙烯基）二甲基膦酸酯的（S）对映异构体的X射线晶体结构比较中的应用

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The crystal structures of the racemate and the (S) enantiomer of (1-ydroxy-3-phenyl-2-propenyl) dimethylphosphonate, C11H15O4P, were determined by X-ray diffraction. The crystal density of the racemate was found to be 6.2% greater than the crystal density of the (S) enantiomer. In both crystal structures the molecules form chains by hydrogen bonding between the OH of one molecule and the P double bond O of another. Observed differences in atomic displacement between the two structures are discussed in view of the C-H ... O interactions.

机译：通过X射线衍射确定（1-羟基-3-苯基-2-丙烯基）二甲基膦酸酯的外消旋体和（S）对映异构体的晶体结构C11H15O4P。发现外消旋体的晶体密度比（S）对映异构体的晶体密度大6.2％。在两种晶体结构中，分子通过一个分子的OH与另一个分子的P双键O之间的氢键形成链。鉴于C-H ... O相互作用，讨论了两种结构之间观察到的原子位移差异。

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《Acta Crystallographica, Section B. Structural Science》 |1997年第5期|共5页
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Blazis VJ; Koeller KJ; Rath NP; Spilling CD;
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1. Application of Wallach's rule in a comparison of the X-ray crystal structures of the racemate and the (S) enantiomer of (1-hydroxy-3-phenyl-2-propenyl) dimethylphosphonate [J] . Blazis VJ, Koeller KJ, Rath NP, Acta Crystallographica, Section B. Structural Science . 1997,第5期

机译：Wallach法则在外消旋物和（1-羟基-3-苯基-2-丙烯基）二甲基膦酸酯的（S）对映异构体的X射线晶体结构比较中的应用
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Application of Wallach's rule in a comparison of the X-ray crystal structures of the racemate and the (S) enantiomer of (1-hydroxy-3-phenyl-2-propenyl) dimethylphosphonate

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