Ghabbour, Hazem A.; Fahim, Asmaa M.; Abu El-Enin, Mohammed A.; Al-Rashood, Sara T.; Abdel-Aziz, Hatem A. published an article in 2022, the title of the article was Crystal structure, Hirshfeld surface analysis and computational study of three 2-(4-arylthiazol-2-yl)isoindoline-1,3-dione derivatives.COA of Formula: C9H8N2S And the article contains the following content:
In these studies, we investigated the importance of isoindoline in pharmacol. evaluation, so we studied the crystal structure, packing, Hirshfeld anal. and computational calculations of 2-(4-arylthiazol-2-yl)isoindoline-1,3-dione derivatives . All single crystal structures of these isoindoline-1,3-dione were shown monoclinic system; P21/n space group and their net diploe moment 2.20, 3.73, 2.02 Debye, resp. Furthermore, Hirshfeld surface anal. was useful technique for visualization and analyze the intermol. interaction between atoms in mol., therefore, the isoindoline derivatives showed different contacts were mostly in H….H range (24.4%-36.5%), H range (8.7%-121.1%), S….H range (4.5%-5.6%) and C….H range (5.4%-10.6%); resp. The isoindoline 4c showed higher intermol. interaction dur to presence of two OCH3 groups. These single crystal structures of dione derivatives were comparable with theor. studies utilized DFT/6-311(G)d,p basis set and determination their phys. descriptors, MEP, HOMO-LUMO band energy gap and charge distribution. Moreover, the correlation studies of the 1HNMR spectral anal. between exptl. and theor. and they were excellent fitted with each other’s. The experimental process involved the reaction of 4-Phenylthiazol-2-amine(cas: 2010-06-2).COA of Formula: C9H8N2S
The Article related to arylthiazole iosindolinedione crystal structure homo lumo nmr chem shift, Physical Organic Chemistry: Other Reactions, Processes, and Spectra and other aspects.COA of Formula: C9H8N2S
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica