TY - JOUR
T1 - Structural Isomerization of 2-Anilinonicotinic Acid Leads to a New Synthon in 6-Anilinonicotinic Acids
AU - Peng, Siqing
AU - Yu, Faquan
AU - Xu, Danrui
AU - Li, Conggang
AU - Parkin, Sean R.
AU - Li, Tonglei
AU - Zhang, Mingtao
AU - Long, Sihui
N1 - Publisher Copyright:
Copyright © 2018 American Chemical Society.
Copyright:
Copyright 2018 Elsevier B.V., All rights reserved.
PY - 2018/9/5
Y1 - 2018/9/5
N2 - Through structural modification of 2-anilinonicotinic acid by isomerization, a new synthon, acid-aminopyridine, is created, and the two original synthons, i.e., the acid-acid homosynthon and acid-pyridine heterosynthon are no longer observed in the newly designed 6-anilinonicotinic acids. The new synthon has a hydrogen-bond strength rivaling that of the acid-acid homosynthon and the acid-pyridine heterosynthon, as suggested by theoretical calculations, which explains its formation.
AB - Through structural modification of 2-anilinonicotinic acid by isomerization, a new synthon, acid-aminopyridine, is created, and the two original synthons, i.e., the acid-acid homosynthon and acid-pyridine heterosynthon are no longer observed in the newly designed 6-anilinonicotinic acids. The new synthon has a hydrogen-bond strength rivaling that of the acid-acid homosynthon and the acid-pyridine heterosynthon, as suggested by theoretical calculations, which explains its formation.
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U2 - 10.1021/acs.cgd.8b00840
DO - 10.1021/acs.cgd.8b00840
M3 - Article
AN - SCOPUS:85052319177
SN - 1528-7483
VL - 18
SP - 4849
EP - 4859
JO - Crystal Growth and Design
JF - Crystal Growth and Design
IS - 9
ER -