[1]贾润红.多取代茚并[1,2-b]吡喃-2-酮的合成和结构表征[J].江西师范大学学报(自然科学版),2020,(03):253-258.[doi:10.16357/j.cnki.issn1000-5862.2020.03.07]
　JIA Runhong.The Synthesis and Crystal Structure of Polysubstituted Indeno[1,2-b]Pyran-2-Ones[J].Journal of Jiangxi Normal University:Natural Science Edition,2020,(03):253-258.[doi:10.16357/j.cnki.issn1000-5862.2020.03.07]
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多取代茚并[1,2-b]吡喃-2-酮的合成和结构表征()
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《江西师范大学学报》（自然科学版）[ISSN:1006-6977/CN:61-1281/TN]

卷:
期数:
2020年03期
页码:
253-258
栏目:
化学与生命科学
出版日期:
2020-06-10

文章信息/Info

Title:
The Synthesis and Crystal Structure of Polysubstituted Indeno[1,2-b]Pyran-2-Ones
文章编号:
1000-5862(2020)03-0253-06
作者:
贾润红1; 2
1.江苏师范大学初等教育学院(连云港校区),江苏 连云港 222006; 2.连云港师范高等专科学校初等教育学院,江苏 连云港 222006
Author(s):
JIA Runhong1; 2
1.Elementary Education College,Jiangsu Normal University(Lianyungang Campus),Lianyungang Jiangsu 222006,China; 2.Elementary Education College,Lianyungang Normal College,Lianyungang Jiangsu 222006,China
关键词:
茚并[1; 2-b]吡喃;  合成;  晶体结构
Keywords:
indeno[1; 2-b] pyran;  synthesis;  crystal structure
分类号:
O 626
DOI:
10.16357/j.cnki.issn1000-5862.2020.03.07
文献标志码:
A
摘要:
多取代茚并[1,2-b]吡喃-2-酮(C20H13NO2)是由邻苯二甲醛、2-(1-对甲苯基亚甲基)丙二腈在三乙胺条件下,在N,N-二甲基甲酰胺作为溶剂中反应得到的.其结构通过单晶X-射线衍射测定,其晶体属单斜晶系,空间群为P21,a=0.773 05(8)nm,b=0.782 46(8)nm,c=1.292 82(12)nm,α=90.00°,β=102.68(10)°,γ=90.00°,V=0.762 94(13)nm3,相对分子质量Mr=299.31,晶胞密度Dc=1.303 g·cm-3,Z=2,λ=0.071 073 nm,吸收系数μ(Mo Kα)=0.085 mm-1,F(000)=312,晶体结构用直接法解得,使用全矩阵最小二乘法对原子参数进行修正,最终偏离因子R=0.041 6,wR=0.066 0.最终差值电子云密度的最高峰为137 e·nm-3,最低峰为-187 e·nm-3.最后精修过程中的最大移动值(Δ/σ)max=0.000,S=1.039.新形成的吡喃环和茚环上的五元环接近共面,生成的吡喃环形成共轭体系.
Abstract:
The title compound(C20H13NO2)is synthesized by the reaction of O-phthalaldehyde,2-(1-phenylethylidene)malononitrile under triethylamine in N,N-dimethylformamide as a solvent.Its crystal structure is determined by single-crystal X-ray diffraction.The crystal is of Monoclinic,space group P21,a=0.773 05(8)nm,b=0.782 46(8)nm,c=1.292 82(12)nm,α=90.00°,β=102.68(10)°,γ=90.00°,V=0.762 94(13)nm3,Mr=299.31,Z=2,Dc=1.303 g·cm-3,μ(MoK α)=0.085 mm-1,F(000)=312,the final R=0.041 6 and wR=0.066 0.(Δρ)min=137 e·nm-3 and(Δρ)max=-187 e·nm-3,(Δ/σ)max=0.000,S=1.039,.It is analyzed that the newly formed pyran ring and the five-membered ring on the indeno ring are close to coplanar,and the pyran ring forms a conjugated system.

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备注/Memo

备注/Memo:
收稿日期:2019-10-12
基金项目:国家自然科学基金(21232004),连云港市521科研课题(LYG52105-2018052),2017年度连云港师范高等专科学校高级别科研培育课题和2018年度连云港师范高等专科学校科研课题(LYGSZ18007)资助项目.
作者简介:贾润红(1980-),女,江苏连云港人,副教授,主要从事有机合成方面的研究.E-mail:jiarunhong@126.com
更新日期/Last Update: 2020-06-10