TY  - JOUR
U1  - Zeitschriftenartikel, wissenschaftlich - begutachtet (reviewed)
A1  - Abdel El‐wahab, Hend A. A.
A1  - Hamdy, Ahmed K.
A1  - Schulzke, Carola
A1  - Aboul‐Fadl, Tarek
A1  - Qayed, Wesam S.
T1  - Crystal structure and quantum chemical calculations of (E)1‐benzyl‐3‐((4‐methoxyphenyl)imino)‐5‐methylindolin‐2‐one
JF  - Journal of Heterocyclic Chemistry
N2  - Abstract
The known Schiff base compound, (E)1‐benzyl‐3‐((4‐methoxyphenyl)imino)‐5‐methylindolin‐2‐one, was prepared as before by reacting 1‐benzyl‐5‐methylindoline‐2,3‐dione with 4‐methoxyaniline. The product was unambiguously characterized using elemental analysis, 1H and 13C‐NMR spectroscopy, and its new single‐crystal X‐ray structural analysis. Molecular orbital calculations were conducted in order to investigate the structures and relative stabilities of the (E) and (Z) isomers of 1‐benzyl‐3‐([4 methoxyphenyl]‐imino)‐5‐methylindolin‐2‐one. Specific attention was paid to the (E) isomer. The available crystallographic experimental data for the latter ensured also validation of the model structures computationally derived at the theoretical B3LYP/6‐31G(d,p) level.
Y1  - 2021
UN  - https://nbn-resolving.org/urn:nbn:de:gbv:9-opus-56112
U6  - https://doi.org/10.1002/jhet.4284
DO  - https://doi.org/10.1002/jhet.4284
VL  - 58
IS  - 8
SP  - 1601
EP  - 1609
PB  - Wiley
CY  - Hoboken, NJ
ER  -