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

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

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 formed by C—H...O hydrogen bonds. These are joined by...

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Bibliographic Details
Main Authors: Ayoub El-Mrabet, Amal Haoudi, Samira Dalbouha, Mohamed Khalid Skalli, Tuncer Hökelek, Frederic Capet, Youssef Kandri Rodi, Ahmed Mazzah, Nada Kheira Sebbar
Format: Article
Language:English
Published: International Union of Crystallography 2023-10-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
π-stacking
c—h...o hydrogen bonds
dihydroquinoline
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989023007557

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http://scripts.iucr.org/cgi-bin/paper?S2056989023007557

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