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 |
|---|---|
| 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 |
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Keywords
- Boat conformation
- Crystal structure
- Hydrogen bonding
- Pyridobenzodiazepine
ASJC Scopus subject areas
- Condensed Matter Physics
- Materials Science(all)
- Chemistry(all)
Cite this
Crystal structure of 5,11-dihydropyrido-[2,3-b][1,4]benzodiazepin-6-one. / Riad, Noura M.; Zlotos, Darius P.; Holzgrabe, Ulrike; Harrison, W. T A (Editor).
In: Acta Crystallographica Section E: Structure Reports Online, Vol. 71, No. 5, 01.05.2015, p. o304-o305.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Crystal structure of 5,11-dihydropyrido-[2,3-b][1,4]benzodiazepin-6-one
AU - Riad, Noura M.
AU - Zlotos, Darius P.
AU - Holzgrabe, Ulrike
A2 - Harrison, W. T A
N1 - Acknowledgements 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).
PY - 2015/5/1
Y1 - 2015/5/1
N2 - 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.
AB - 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.
KW - Boat conformation
KW - Crystal structure
KW - Hydrogen bonding
KW - Pyridobenzodiazepine
UR - http://www.scopus.com/inward/record.url?scp=84928156204&partnerID=8YFLogxK
U2 - 10.1107/S2056989015006817
DO - 10.1107/S2056989015006817
M3 - Article
AN - SCOPUS:84928156204
VL - 71
SP - o304-o305
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
SN - 1600-5368
IS - 5
ER -