Synthesis and Crystal Structure of 5-Allyl-2,3-dihydro-9-（2-hydroxy-5-oxocyclopent-1-enyl）-cyclopenta[b]chromen-1（9H）-one Monohydrate

• 作者: 周建峰 孙小军 支三军 胡华友 韦长梅
• 来源期刊: 结构化学
• 学科: 其他
• 关键词: crystal structure,chromene,conformation,monohydrate
• 年，卷（期）: 2012,（5）
• 页码范围: 713-717
• 页数: 5页
• 分类号: O
• 语种: 英文

摘要

The title compound 5-allyl-2,3-dihydro-9-（2-hydroxy-5-oxocyclopent-1-enyl）-cyclopenta[b]chromen-1（9H）-one monohydrate（C20H18O4.H2O,Mr = 340.36） was synthesized and crystallized.It crystallizes in the triclinic system,space group P with a = 8.5840（17）,b = 8.7027（17）,c = 11.561（2）,α = 89.69（3）,β = 74.33（3）,γ = 86.13（3）°,V = 829.6（3）（A°）^3,Z = 2,Dc = 1.363 g/cm^3,MoKa radiation（λ = 0.71073 ）,F（000） = 360,μ = 0.098 mm^-1,the final R = 0.0430 and wR = 0.1008 for 2957 observed reflections with（I 〉 2σ（I））.X-ray analysis reveals that atoms C（1）,C（2）,C（3）,C（4）,C（5） and O（1） on the new pyran ring are coplanar,which is obviously different from the half-chair or boat conformations of other similar compounds.