Comparison of Crystal Structures of New Racemic Chiral Compounds Showing and Not Showing the Phenomenon of Preferential Enrichment
Comparison of Crystal Structures of New Racemic Chiral Compounds Showing and Not Showing the Phenomenon of Preferential Enrichment
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显示和不显示优先富集现象的新型外消旋手性化合物晶体结构的比较
DOI：
10.1080/10610270108034884
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发表时间：
2001
影响因子：
3.3
通讯作者：
T. Ushio
中科院分区：
文献类型：
--
作者：
R. Tamura;Hiroki Takahashi;H. Miura;Z. Lepp;Y. Nakajima;K. Hirotsu;T. Ushio
摘要比较了(±)-[2-[4-(3-ethoxy-2-hydroxypropoxy)phenylcarbamoyl]ethyl]三甲基对氯苯磺酸铵[(±)-NCMe3]及其末端甲氧基衍生物(±)-NCMe3-OMe的晶体结构。前者外消旋体表现出优先浓缩的现象，而后者未能做到这一点。晶体数据，(±)-NCMe3：CuKα辐射，空间群P1，Z=2，a=9.848(5)，b=14.823(3)，c=9.147(1)，α=97.81(1)，β=92.68(3)，γ=105.92(2)°，D calc=1.355 g/cm~3，R=0.056；(±)-NCMe3-OMe：Cukα辐射，空间群P1，Z=2，a=11.350(1)，b=14.568(2)，c=8.2981(4)ä，α=94.346(7)，β=94.346(5)，γ=78.622(9)°，D Calc=1.343 g/cm~3，R=0.069。
Abstract The crystal structures of (±)-[2-[4-(3-ethoxy-2-hydroxypropoxy)phenylcarbamoyl]ethyl] trimethylammonium p-chlorobenzenesulfonate [(±)-NCMe3] and its terminal methoxy derivative, (±)-NCMe3-OMe, are compared. The former racemate exhibited the phenomenon of Preferential Enrichment, whereas the latter failed to do so. Crystal data, (±)-NCMe3: CuKα radiation, space group P 1, Z = 2, a = 9.848(5), b = 14.823(3), c = 9.147(1) Å, α = 97.81(1), β = 92.68(3), γ = 105.92(2)°, D calc = 1.355 g/cm3, R = 0.056 for 3213 observed reflections; (±)-NCMe3-OMe: CuKα radiation, space group P 1, Z = 2, a = 11.350(1), b = 14.568(2), c = 8.2981(4) Å, α = 94.346(7), β = 112.376(5), γ = 78.622(9)°, D calc = 1.343 g/cm3, R = 0.069 for 1519 observed reflections.