Crystal structure of (1 Z,4 Z)-2,4-dimethyl-3 H-benzo[ b][1,4]diazepine

Carla I Nieto; Rosa M Claramunt; M Carmen Torralba; M Rosario Torres; Jose Elguero

doi:10.1107/S2056989017004972

Crystal structure of (1 Z,4 Z)-2,4-dimethyl-3 H-benzo[ b][1,4]diazepine

Acta Crystallogr E Crystallogr Commun. 2017 Apr 4;73(Pt 5):647-650. doi: 10.1107/S2056989017004972. eCollection 2017 May 1.

Authors

Carla I Nieto¹, Rosa M Claramunt¹, M Carmen Torralba², M Rosario Torres³, Jose Elguero⁴

Affiliations

¹ Departamento de Química Orgánica y Bio-orgánica, Facultad de Ciencias, Universidad Nacional de Educación a Distancia (UNED), Senda del Rey 9, E-28040 Madrid, Spain.
² Departamento de Química Inorgánica I, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, E-28040 Madrid, Spain.
³ CAI Difraccion de Rayos X, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, E-28040 Madrid, Spain.
⁴ Instituto de Química Medica, Centro Química Orgánica Manuel Lora-Tamayo,(CSIC), Juan de la Cierva, 3, E-28006 Madrid, Spain.

Abstract

The title compound, C₁₁H₁₂N₂, is not planar due to the folding of the seven-membered ring. In the crystal, mol-ecules are packed opposite each other to minimize the electronic repulsion but the long inter-molecular distances indicate that no directional contacts are found.

Keywords: 1,5-benzodiazepine; benzo[b][1,4]diazepine; crystal structure.