Zwitterion formation and subsequent carboxylate-pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid
文献类型：期刊论文
| 作者 | Long, Sihui5; Yu, Faquan5; Li, Conggang1; Li, Tonglei2; Parkin, Sean3; Xu, Danrui5; Zhang, Mingtao4; Dong, Caiqiao4; Yue, Pengyun5 |
| 刊名 | CRYSTENGCOMM
 |
| 出版日期 | 2018-10-28 |
| 卷号 | 20期号:40页码:6126-6132 |
| ISSN号 | 1466-8033 |
| DOI | 10.1039/c8ce01255e |
| 英文摘要 | Through structural modification of 2-anilinonicotinic acid by isomerization, the pK(a) between the carboxylic acid and pyridinium NH increased dramatically over the threshold to form zwitterions in the newly designed 4-anilinonicotinic acids. This in turn led to the formation of a hydrogen bond between carboxylate and pyridinium NH, and the absence of two commonly observed synthons, i.e., the acid-acid homosynthon and acid-pyridine heterosynthon. The new synthon has a stronger hydrogen bond than the acid-acid homosynthon and the acid-pyridine heterosynthon, as suggested by theoretical calculations. This, together with the much larger pK(a), explains its formation. |
| WOS关键词 | HYDROGEN-BOND PATTERNS ; SUPRAMOLECULAR SYNTHONS ; MEDICINAL CHEMISTRY ; X-RAY ; THERMOCHEMISTRY ; HETEROSYNTHON ; POLYMORPHISM ; INSIGHTS ; CLONIXIN ; STATES |
| 资助项目 | Natural Science Foundation of Hubei Province[2014CFB787] ; National Science Foundation (NSF) MRI program[CHE0319176] ; National Science Foundation (NSF) MRI program[CHE1625732] |
| WOS研究方向 | Chemistry ; Crystallography |
| 语种 | 英语 |
| WOS记录号 | WOS:000448342600003 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 资助机构 | Natural Science Foundation of Hubei Province ; National Science Foundation (NSF) MRI program ; Natural Science Foundation of Hubei Province ; National Science Foundation (NSF) MRI program ; Natural Science Foundation of Hubei Province ; National Science Foundation (NSF) MRI program ; Natural Science Foundation of Hubei Province ; National Science Foundation (NSF) MRI program |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/13174]  |
| 专题 | 中国科学院武汉物理与数学研究所 |
| 通讯作者 | Long, Sihui; Yu, Faquan |
| 作者单位 | 1.Chinese Acad Sci, Wuhan Inst Phys & Math, Wuhan, Hubei, Peoples R China 2.Purdue Univ, Dept Ind & Phys Pharm, W Lafayette, IN 47907 USA 3.Univ Kentucky, Dept Chem, Lexington, KY 40506 USA 4.Nankai Univ, Dept Chem, Tianjin, Peoples R China 5.Wuhan Inst Technol, Sch Chem Engn & Pharm, Key Lab Green Chem Proc,Minist Educ, Hubei Key Lab Novel Reactor & Green Chem Technol, Wuhan, Hubei, Peoples R China |
| 推荐引用方式 GB/T 7714 | Long, Sihui,Yu, Faquan,Li, Conggang,et al. Zwitterion formation and subsequent carboxylate-pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid[J]. CRYSTENGCOMM,2018,20(40):6126-6132. |
| APA | Long, Sihui.,Yu, Faquan.,Li, Conggang.,Li, Tonglei.,Parkin, Sean.,...&Yue, Pengyun.(2018).Zwitterion formation and subsequent carboxylate-pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid.CRYSTENGCOMM,20(40),6126-6132. |
| MLA | Long, Sihui,et al."Zwitterion formation and subsequent carboxylate-pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid".CRYSTENGCOMM 20.40(2018):6126-6132. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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