Effect of Substituent Size and Isomerization on the Polymorphism of 2-(Naphthalenylamino)-benzoic Acids
文献类型：期刊论文
| 作者 | Liu, Yuting6; Zhang, Mingtao7; Xu, Danrui6; Parkin, Sean1; Li, Tonglei2; Li, Conggang3; Yang, Zhaoyong4,5; Yu, Faquan6; Long, Sihui6 |
| 刊名 | CRYSTAL GROWTH & DESIGN
 |
| 出版日期 | 2019-07-01 |
| 卷号 | 19期号:7页码:3694-3703 |
| ISSN号 | 1528-7483 |
| DOI | 10.1021/acs.cgd.8b01902 |
| 英文摘要 | To probe the effect of substituent size and isomerization on the polymorphism of fenamic acid (FA) derivatives, we synthesized two FA analogues, namely, 2-(naphthalen-1-ylamino)-benzoic acid and 2-(naphthalen-2-ylamino)-benzoic acid (NBAs), and investigated their polymorphism. Contrary to the lack of polymorphism in FA, we discovered two crystal forms (1-I, 1-II, 24, and 241) for each of the two compounds. We characterized the two polymorphic systems with single-crystal X-ray diffraction, powder X-ray diffraction, and infrared and Raman spectroscopy, and observed certain structural similarities between 1-I and 2-I. The phase behavior of these two systems were studied with differential scanning calorimetry. Computational studies such as the search for stable conformers, lattice-energy calculations, and Hirshfeld surface analysis were performed to shed light on the polymorphism, relative stability of the forms in each system, and contribution of intermolecular interactions to the overall stability of the systems. The study confirmed the effect of substituent size on the polymorphism of the compounds. |
| 资助项目 | Natural Science Foundation of Hubei Province[2014CFB787] ; Innovation Fund of the Graduate School[CX2018022] ; NSF[DMR1006364] ; NSF MRI Program[CHE0319176] ; NSF MRI Program[CHE1625732] |
| WOS研究方向 | Chemistry ; Crystallography ; Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000474669900014 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://202.127.146.157/handle/2RYDP1HH/7655]  |
| 专题 | 中国科学院武汉植物园 |
| 通讯作者 | Yu, Faquan; Long, Sihui |
| 作者单位 | 1.Univ Kentucky, Dept Chem, Lexington, KY 40506 USA 2.Purdue Univ, Dept Ind & Phys Pharm, W Lafayette, IN 47907 USA 3.Chinese Acad Sci, Wuhan Inst Phys & Math, Wuhan, Hubei, Peoples R China 4.Peking Union Med Coll, Beijing 100050, Peoples R China 5.Chinese Acad Med Sci, Inst Med Biotechnol, Minist Hlth, Key Lab Biotechnol Antibiot, Beijing 100050, Peoples R China 6.Wuhan Inst Technol, Hubei Key Lab Novel Reactor & Green Chem Technol, Minist Educ,Hubei Engn Res Ctr Adv Fine Chem, Key Lab Green Chem Proc,Sch Chem Engn & Pharm, 206 First Rd Opt Valley, Wuhan 430205, Hubei, Peoples R China 7.Nankai Univ, Coll Chem, Computat Ctr Mol Sci, Tianjin, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Yuting,Zhang, Mingtao,Xu, Danrui,et al. Effect of Substituent Size and Isomerization on the Polymorphism of 2-(Naphthalenylamino)-benzoic Acids[J]. CRYSTAL GROWTH & DESIGN,2019,19(7):3694-3703. |
| APA | Liu, Yuting.,Zhang, Mingtao.,Xu, Danrui.,Parkin, Sean.,Li, Tonglei.,...&Long, Sihui.(2019).Effect of Substituent Size and Isomerization on the Polymorphism of 2-(Naphthalenylamino)-benzoic Acids.CRYSTAL GROWTH & DESIGN,19(7),3694-3703. |
| MLA | Liu, Yuting,et al."Effect of Substituent Size and Isomerization on the Polymorphism of 2-(Naphthalenylamino)-benzoic Acids".CRYSTAL GROWTH & DESIGN 19.7(2019):3694-3703. |
入库方式： OAI收割
来源：武汉植物园
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