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

Please always quote using this URN: urn:nbn:de:bvb:20-opus-149627
  • The title compound, C\(_{12}\)H\(_{9}\)N\(_{3}\)O, 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, R\(_{2}\)\(^{2}\)(8) loops are generated.

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Author: Noura M. Riad, Darius P. Zlotos, Ulrike Holzgrabe
Document Type:Journal article
Faculties:Fakultät für Chemie und Pharmazie / Institut für Pharmazie und Lebensmittelchemie
Parent Title (English):Acta Crystallographica Section E Crystallographic Communications
Year of Completion:2015
Source:Acta Crystallographica Section E Crystallographic Communications (2015). E71, o304-o305. DOI: 10.1107/S2056989015006817
Pubmed Id:http://www.ncbi.nlm.nih.gov/pubmed?term=PMC4420050
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 54 Chemie / 548 Kristallografie
Tag:boat conformation; crystal structure; hydrogen bonding; pyridobenzodiazepine
Release Date:2019/01/21
Licence (German):License LogoCC BY: Creative-Commons-Lizenz: Namensnennung