Crystal structure of 5,11-dihydropyrido-[2,3-b][1,4]benzodiazepin-6-one

Noura M. Riad, Darius P. Zlotos*, Ulrike Holzgrabe, W. T A Harrison (Editor)

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

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The title compound, C12H9N3O, is an intermediate in the synthesis of the muscarinic M2 receptor antagonist AFDX-384. The seven-membered ring adopts a boat conformation and the dihedral angle between the planes of the aromatic rings is 41.51 (9)°. In the crystal, molecules are linked into [001] chains of alternating inversion dimers formed by pairs of N - H⋯O hydrogen bonds and pairs of N - H⋯N hydrogen bonds. In both cases, R22(8) loops are generated.

Original languageEnglish
Pages (from-to)o304-o305
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Issue number5
Early online date11 Apr 2015
Publication statusPublished - 1 May 2015

Bibliographical note

The authors thank Andreas Lorbach and Todd B. Marder (Institute of Inorganic Chemistry, Wuerzburg University) for the data collection and structure solution. We appreciate the financial support provided to NMR by the Deutscher Akademischer Austauschdienst (DAAD). Thanks are also due to the Deutsche Forschungsgemeinschaft for financial support (SFB 630, Recognition, Preparation and Functional Analysis of Agents against Infectious Diseases, project A1).


  • Boat conformation
  • Crystal structure
  • Hydrogen bonding
  • Pyridobenzodiazepine


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