(3S)-3,8-Dibromo-4-phenyl-2,3-dihydro-1H-1,5-benzodiazapin-2-one

(3S)-3,8-Dibromo-4-phenyl-2,3-dihydro-1H-1,5-benzodiazapin-2-one

In the title compound, C15H10Br2N2O, one Br atom is disordered over two non-chemically equivalent sites, and as a consequence, the crystallized sample contains a mixture of isomers, viz. 98.4% of 3,8-dibromo-4-phenyl-2,3-dihydro-1H-1,5-benzodiazapin-2-one and 1.6% of 3,6-dibromo-4-phenyl-2,3-dihydro...

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Veröffentlicht in:IUCrData 2017-03, Vol.2 (3), p.x170389
Hauptverfasser: Abdelhanine Essaghouani, Mohammed Boulhaoua, Sanae Lahmidi, Mohamed Mokhtar Mohamed Abdelahi, El Mokhtar Essassi, Joel T. Mague
Format: Artikel
Sprache:eng
Schlagworte:
benzodiazepine
crystal structure
hydrogen bonding
π-stacking
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Beschreibung
Zusammenfassung:In the title compound, C15H10Br2N2O, one Br atom is disordered over two non-chemically equivalent sites, and as a consequence, the crystallized sample contains a mixture of isomers, viz. 98.4% of 3,8-dibromo-4-phenyl-2,3-dihydro-1H-1,5-benzodiazapin-2-one and 1.6% of 3,6-dibromo-4-phenyl-2,3-dihydro-1H-1,5-benzodiazapin-2-one. The seven-membered ring adopts a boat conformation. In the crystal, pairwise N—H...O hydrogen bonds form centrosymmetric dimers, which are associated in the crystal through a combination of π–π stacking and C—H...π(ring) interactions.
ISSN:2414-3146
2414-3146
DOI:10.1107/S2414314617003893