Synthesis and Crystal Structure of Ethyl 4-(2-Chloro-4-fluorophenyl)-6-hydroxy-3oxo-1,3-dihydro-5-isobenzofurancarboxylate
文献类型：期刊论文
| 作者 | Xu XiaoQian1; Wang XiaoKui1; Yang ShiYing3; Zheng ZhiBing1; Zhao GuoMing1; Li Song1 |
| 刊名 | CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
 |
| 出版日期 | 2010 |
| 卷号 | 29期号:1页码:43-46 |
| 关键词 | ALKYNE CYCLOTRIMERIZATION MYCOPHENOLIC ACID PHTHALIDES isobenzofurancarboxylate phthalide crystal structure synthesis |
| ISSN号 | 0254-5861 |
| 其他题名 | Synthesis and Crystal Structure of Ethyl 4-（2-Chloro-4-fluorophenyl）-6-hydroxy-3-oxo-1,3-dihydro-5-isobenzofurancarboxylate |
| 英文摘要 | The crystal structure of the title compound (C17H12ClFO5, M-r = 350.72) was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P2(1)/c, with a = 7.693(1), b = 15.767(1), c = 12.986(1) angstrom, beta = 97.23(1)degrees, V = 1562.6(2) angstrom(3), Z = 4, D-c = 1.491 g/cm(3), lambda(MoK alpha) = 0.71073, F(000) = 720, mu(MoK alpha) = 0.280 mm(-1), R = 0.0563 and wR = 0.1674. A total of 3592 unique reflections were collected, of which 2462 with I > 2 sigma(I) were observed. Five-membered lactone rings and hydroxyl-substituted phenyl rings are approximately coplanar with their dihedral angle of 4.1 degrees. The dihedral angle between two different phenyl rings is 71.3 degrees. To our interest, intramolecular O(1)-H(1)center dot center dot center dot O(4) hydrogen bonds could be found in each molecule. Intramolecular hydrogen bonds and intermolecular van der Waals force contribute to the stability of the structure. |
| 资助项目 | [National High-tech RD Program] ; [National Basic Research Program of China] |
| 语种 | 英语 |
| CSCD记录号 | CSCD:3819170 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/157464]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 作者单位 | 1.Acad Mil Med Sci, Institute Pharmacol & Toxicol, Beijing 100850, Peoples R China 2.中国科学院金属研究所 3.Chinese Acad Med Sci, Institute Mat Med, Beijing 100050, Peoples R China Institute Mat Med 4.Peking Union Med Coll, Beijing 100050, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu XiaoQian,Wang XiaoKui,Yang ShiYing,et al. Synthesis and Crystal Structure of Ethyl 4-(2-Chloro-4-fluorophenyl)-6-hydroxy-3oxo-1,3-dihydro-5-isobenzofurancarboxylate[J]. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY,2010,29(1):43-46. |
| APA | Xu XiaoQian,Wang XiaoKui,Yang ShiYing,Zheng ZhiBing,Zhao GuoMing,&Li Song.(2010).Synthesis and Crystal Structure of Ethyl 4-(2-Chloro-4-fluorophenyl)-6-hydroxy-3oxo-1,3-dihydro-5-isobenzofurancarboxylate.CHINESE JOURNAL OF STRUCTURAL CHEMISTRY,29(1),43-46. |
| MLA | Xu XiaoQian,et al."Synthesis and Crystal Structure of Ethyl 4-(2-Chloro-4-fluorophenyl)-6-hydroxy-3oxo-1,3-dihydro-5-isobenzofurancarboxylate".CHINESE JOURNAL OF STRUCTURAL CHEMISTRY 29.1(2010):43-46. |
入库方式： OAI收割
来源：金属研究所
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