Crystal structure, Hirshfeld analysis and molecular docking with the vascular endothelial growth factor receptor-2 of (3Z)-5-fluoro-3-(hydroxyimino)indolin-2-one

Abstract

Edited by C. Rizzoli, Universita degli Studi di Parma, Italy Keywords: crystal structure; Hirshfeld surface analysis; isatin derivative-VEGFR-2 in silico evaluation. CCDC reference: 1554287Supporting information: this article has supporting information at journals.iucr.org/eCrystal structure, Hirshfeld analysis and molecular docking with the vascular endothelial growth factor receptor-2 of (3Z)-5-fluoro-3-(hydroxyimino)-indolin-2-one

Crystal structure and Hirshfeld analysis of trans-bis(5-fluoroindoline-2,3-dione 3-oximato-κ2 O 2,N 3)-trans-bis(pyridine-κN)copper(II)

“…Along the same line of research of the present work, the crystal structure, the Hirshfeld surface analysis and the lock-and-key supramolecular analysis through in silico evaluation with the vascular endothelial growth factor receptor-2 (VEGFR-2) of the isatin derivative ligand of the title complex were recently carried out. The (3Z)-5-fluoro-3-(hydroxyimino)-indolin-2one molecule showed a structure-activity relationship with the selected biological target through hydrogen bonding (Martins et al, 2017). Although the chemistry of isatins is already well reported in several scientific disciplines, crystal structures of complexes with isatin 3-oxime derivatives are surprisingly few in number.…”

“…All the starting materials were commercially available and were used without further purification. The synthesis of the ligand followed the procedure reported previously (Martins et al, 2017). 5-Fluoroisatin 3-oxime was dissolved in methanol (4 mmol, 50 mL) and deprotonated with one pellet of KOH with stirring maintained for 60 min.…”