Abstract
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 language | English |
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Pages (from-to) | o304-o305 |
Number of pages | 2 |
Journal | Acta Crystallographica Section E: Structure Reports Online |
Volume | 71 |
Issue number | 5 |
Early online date | 11 Apr 2015 |
DOIs | |
Publication status | Published - 1 May 2015 |
Bibliographical note
AcknowledgementsThe 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).
Keywords
- Boat conformation
- Crystal structure
- Hydrogen bonding
- Pyridobenzodiazepine