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 journalArticle

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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 languageEnglish
Pages (from-to)o304-o305
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number5
Early online date11 Apr 2015
DOIs
Publication statusPublished - 1 May 2015

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Hydrogen bonds
Crystal structure
Muscarinic M2 Receptors
hydrogen bonds
crystal structure
rings
boats
Boats
Dihedral angle
Dimers
Conformations
dihedral angle
dimers
inversions
Crystals
Molecules
synthesis
crystals
molecules
AFDX 384

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 journalArticle

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