Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (S)-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (S)-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione

The title compound, C15H14N2O2, consists of pyrrole and benzodiazepine units linked to a propargyl moiety, where the pyrrole and diazepine rings adopt half-chair and boat conformations, respectively. The absolute configuration was assigned on the the basis of l-proline, which was used in the synthes...

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Bibliographic Details
Main Authors: Dounia Jeroundi, Ahmed Mazzah, Tuncer Hökelek, El Mestafa El Hadrami, Catherine Renard, Amal Haoudi, El Mokhtar Essassi
Format: Article
Language:English
Published: International Union of Crystallography 2020-04-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
benzodiazepine
pyrrole
hirshfeld surface
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989020002698

Internet

http://scripts.iucr.org/cgi-bin/paper?S2056989020002698

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