Crystal Structure of 5—(l—Menthyloxy)—3—chloro—4— Pyrrolidinyl—2(5H0—f |
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引用本文: | 耿哲,陈庆华.Crystal Structure of 5—(l—Menthyloxy)—3—chloro—4— Pyrrolidinyl—2(5H0—f[J].结构化学,1999,18(2):110-113. |
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作者姓名: | 耿哲 陈庆华 |
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作者单位: | Department of Chemistry, Capital Normal University, Beijing 100037,Department of Chemistry, Beijing Normal University, Beijing 100875 |
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基金项目: | 中国科学院资助项目,, |
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摘 要: | The molecular structure of the title compound 5-(l-menthyloxy)-3-chloro-4-pyrrolidinyl-2(5H)-furanone, C18H28ClNO3(Ⅰ), has been determined by X-ray diffraction at 296(1)K. The crystal is monoclinic with space group P21, a=9.457(3), b=10.413(3), c=9.525(2), β=95.19(2)°, V=934(1) 3, Z=2, Mr=341.88, Dx=1.22 g/cm3, μ=2.15 cm-1, F(000)=368. The final R factor is 0.059, and Rw is 0.065 for 1020 observed reflections with I≥3σ(I). The absolute configuration at C(14) of the acetal carbon was proved to be S, taking into account the known configuration of 1R, 2S, 5R-menthyl moiety. There are three rings in the molecule of this compound: the furanone ring, the pyrrolidine ring and the mentholoxy group ring. The franone ring is connected with the pyrrolidine ring and the mentholoxy ring by N atom and μ2-O bridge atom respectively.
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关 键 词: | 晶体结构 迈克尔加成-消除反应 5-(l-孟氧基)-3-氯-4-吡咯啉基-2(5H)-呋喃酮 |
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