| Autor: |
Rharmili, Nohaila, Abdellaoui, Omar, Haoudi, Amal, Mague, Joel T., Hökelek, Tuncer, Chahdi, Fouad Ouazzani, Rodi, Youssef Kandri, Mazzah, Ahmed, Sebbar, Nada Kheira |
| Předmět: |
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| Zdroj: |
Acta Crystallographica Section E: Crystallographic Communications; Nov2023, Vol. 79 Issue 11, p1033-1036, 11p |
| Abstrakt: |
In the title compound, C20H28BrNO2, the indoline portion is almost planar and the 12-bromododecyl chain adopts an all-trans conformation apart from the gauche terminal C--C--C--Br fragment. A micellar-like structure is generated in the crystal by C--H⋯O hydrogen bonds and π-stacking interactions between indolinedione head groups and intercalation of the 12-bromododecyl tails. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (58.9%), H⋯O/O⋯H (17.9%) and H⋯Br/Br⋯H (9.5%) contacts. A density functional theory (DFT) optimized structure at the B3LYP/ 6-311 G(d,p) level shows good agreement with the experimentally determined molecular structure in the solid state. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
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