{"title":"甲酸邻乙酯苯乙酸的制备及结构表征","authors":"Wang Li-hua, Tai Xi-Shi","doi":"10.12783/issn.1544-8053/14/S1/11","DOIUrl":null,"url":null,"abstract":"A new compound, O-ethyl formate phenylacetic acid, was synthesized by one-pot method with homophthalic acid, CH3OH and Ca(ClO4)2·2H2O. The new compound was determined by elemental analysis and single crystal X-Ray diffraction analysis. The o-ethyl formate phenylacetic acid crystallize in monoclinic, space group C2/c with a = 20.908(4) A, b = 5.2154(10) A, c = 20.045(4) A, β = 97.21(3)o, V = 2168.5(7) A3, Z = 1, Dc = 1.104 μg·m–3, μ = 0.064 mm–1, F(000) = 720, and final R1 = 0.1967, wR2 = 0.4907. The title molecules form 1D chained structure by the interaction of intermolecular hydrogen bonds and π-π stacking.","PeriodicalId":17101,"journal":{"name":"Journal of Residuals Science & Technology","volume":"63 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2017-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Preparation and Structural Characterization of o-Ethyl Formate Phenylacetic Acid\",\"authors\":\"Wang Li-hua, Tai Xi-Shi\",\"doi\":\"10.12783/issn.1544-8053/14/S1/11\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A new compound, O-ethyl formate phenylacetic acid, was synthesized by one-pot method with homophthalic acid, CH3OH and Ca(ClO4)2·2H2O. The new compound was determined by elemental analysis and single crystal X-Ray diffraction analysis. The o-ethyl formate phenylacetic acid crystallize in monoclinic, space group C2/c with a = 20.908(4) A, b = 5.2154(10) A, c = 20.045(4) A, β = 97.21(3)o, V = 2168.5(7) A3, Z = 1, Dc = 1.104 μg·m–3, μ = 0.064 mm–1, F(000) = 720, and final R1 = 0.1967, wR2 = 0.4907. The title molecules form 1D chained structure by the interaction of intermolecular hydrogen bonds and π-π stacking.\",\"PeriodicalId\":17101,\"journal\":{\"name\":\"Journal of Residuals Science & Technology\",\"volume\":\"63 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2017-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Residuals Science & Technology\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.12783/issn.1544-8053/14/S1/11\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Residuals Science & Technology","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.12783/issn.1544-8053/14/S1/11","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
以邻苯二甲酸、CH3OH和Ca(ClO4)2·2H2O为原料，采用一锅法合成了新的化合物甲酸o -乙酯苯基乙酸。通过元素分析和x射线单晶衍射分析确定了新化合物。甲酸乙酯苯乙酸在C2/c空间群中以单斜晶型结晶，a = 20.908(4) a, b = 5.2154(10) a, c = 20.045(4) a， β = 97.21(3)o, V = 2168.5(7) A3,Z = 1, Dc = 1.104 μg·m-3， μ = 0.064 mm-1, F(000) = 720，最终R1 = 0.1967, wR2 =0.4907。标题分子通过分子间氢键的相互作用和π-π堆积形成1D链状结构。
Preparation and Structural Characterization of o-Ethyl Formate Phenylacetic Acid
A new compound, O-ethyl formate phenylacetic acid, was synthesized by one-pot method with homophthalic acid, CH3OH and Ca(ClO4)2·2H2O. The new compound was determined by elemental analysis and single crystal X-Ray diffraction analysis. The o-ethyl formate phenylacetic acid crystallize in monoclinic, space group C2/c with a = 20.908(4) A, b = 5.2154(10) A, c = 20.045(4) A, β = 97.21(3)o, V = 2168.5(7) A3, Z = 1, Dc = 1.104 μg·m–3, μ = 0.064 mm–1, F(000) = 720, and final R1 = 0.1967, wR2 = 0.4907. The title molecules form 1D chained structure by the interaction of intermolecular hydrogen bonds and π-π stacking.
期刊介绍：
The international Journal of Residuals Science & Technology (JRST) is a blind-refereed quarterly devoted to conscientious analysis and commentary regarding significant environmental sciences-oriented research and technical management of residuals in the environment. The journal provides a forum for scientific investigations addressing contamination within environmental media of air, water, soil, and biota and also offers studies exploring source, fate, transport, and ecological effects of environmental contamination.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
