Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 5,5-diphenyl-1,3-bis(prop-2-yn-1-yl)imidazolidine-2,4-dione

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 5,5-diphenyl-1,3-bis(prop-2-yn-1-yl)imidazolidine-2,4-dione

The title compound, C21H16N2O2, consists of an imidazolidine unit linked to two phenyl rings and two prop-2-yn-1-yl moieties. The imidazolidine ring is oriented at dihedral angles of 79.10 (5) and 82.61 (5)° with respect to the phenyl rings, while the dihedral angle between the two phenyl rings is 6...

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Bibliographic Details
Main Authors: Ismail Ghandour, Abdelouahed Bouayad, Tuncer Hökelek, Amal Haoudi, Frédéric Capet, Catherine Renard, Youssef Kandri Rodi
Format: Article
Language:English
Published: International Union of Crystallography 2019-07-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
imidazolidine
oxazole
π-stacking
Hirshfeld surface
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019007801

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http://scripts.iucr.org/cgi-bin/paper?S2056989019007801

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