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

ABSTRACT: The title compound, C12H9N3O, is an inter-mediate 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, mol-ecules 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.

SUBMITTER: Riad NM

PROVIDER: S-EPMC4420050 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

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

Riad Noura M NM Zlotos Darius P DP Holzgrabe Ulrike U

Acta crystallographica. Section E, Crystallographic communications 20150411 Pt 5

The title compound, C12H9N3O, is an inter-mediate 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, mol-ecules 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. ...[more]

PMID: 25995917

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