Crystal structure, Hirshfeld surface analysis and computational study of three 2-(4-arylthiazol-2-yl)isoindoline-1,3-dione derivatives

• Published in: Molecular Crystals and Liquid Crystals Vol. 742; no. 1; pp. 40 - 55
• Main Authors: Ghabbour, Hazem A., Fahim, Asmaa M., Abu El-Enin, Mohammed A., Al-Rashood, Sara T., Abdel-Aziz, Hatem A.
• Format: Journal Article
• Language: English
• Published: Philadelphia Taylor & Francis 24.07.2022; Taylor & Francis Ltd
• Subjects: Charge distribution; Crystal structure; DFT study; Energy distribution; Energy gap; Hirshfeld analysis; Isoindole-1,3-diones; Molecular orbitals; single crystal structure; Single crystals; Spectral analysis; Spectrum analysis; Surface analysis (chemical)

In these studies, we investigated the importance of isoindoline in pharmacological evaluation, so we studied the crystal structure, packing, Hirshfeld analysis and computational calculations of 2-(4-arylthiazol-2-yl)isoindoline-1,3-dione derivatives 4a-c. All single crystal structures of these isoin...