Crystal structure, Hirshfeld surface analysis, interaction energy and energy framework calculations, as well as density functional theory (DFT) computation, of methyl 2-oxo-1-(prop-2-ynyl)-1,2-dihydroquinoline-4-carboxylate

Autor: Ayoub El-Mrabet, Amal Haoudi, Samira Dalbouha, Mohamed Khalid Skalli, Tuncer Hökelek, Frederic Capet, Youssef Kandri Rodi, Ahmed Mazzah, Nada Kheira Sebbar

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 79, Iss 10, Pp 883-889 (2023)

In the title molecule, C14H11NO3, the dihydroquinoline core deviates slightly from planarity, indicated by the dihedral angle of 1.07 (3)° between the two six-membered rings. In the crystal, layers of molecules almost parallel to the bc plane are fo

Externí odkaz: https://doaj.org/article/bae58353fe3d4820abdcad0b8f156424

Crystal structure, Hirshfeld surface analysis and DFT studies of 5-bromo-1-{2-[2-(2-chloro-eth-oxy)eth-oxy]eth-yl}indoline-2,3-dione

Autor: A. Haoudi, Frédéric Capet, Catherine Renard, Mohamed Khalid Skalli, Tuncer Hökelek, Omar Abdellaoui, Youssef Kandri Rodi

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications
Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 9, Pp 1372-1378 (2019)

The title compound consists of the 5-bromo­indoline-2,3-dione unit linked by a 1-{2-[2-(2 chloro­eth­oxy)eth­oxy]eth­yl} moiety. In the crystal, inter­molecular C—HBrmind⋯ODio, C—HBrmind⋯OEthy, C—HChlethy⋯ODio and C—HChlethy⋯OCh

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0fb9b704b0fef7916635a926c4cc2f00
https://pubmed.ncbi.nlm.nih.gov/31523469

Crystal structure, Hirshfeld surface analysis and DFT studies of 5-bromo-1-{2-[2-(2-chloroethoxy)- ethoxy]ethyl}indoline-2,3-dione.

Autor: Abdellaoui, Omar, Hökelek, Tuncer, Capet, Frédéric, Renard, Catherine, Haoudi, Amal, Skalli, Mohamed Khalid, Rodi, Youssef Kandri

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications; Sep2019, Vol. 75 Issue 9, Following p1372-1378, 14p