| Autor: |
Yue, Pengyun, Dong, Caiqiao, Zhang, Mingtao, Xu, Danrui, Parkin, Sean, Li, Tonglei, Li, Conggang, Yu, Faquan, Long, Sihui |
| Předmět: |
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| Zdroj: |
CrystEngComm; 10/28/2018, Vol. 20 Issue 40, p6126-6132, 7p |
| Abstrakt: |
Through structural modification of 2-anilinonicotinic acid by isomerization, the ΔpKa 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 ΔpKa, explains its formation. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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