Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra­hydro-1H-benzo[b][1,4]diazepine hemihydrate

The title compound, C(12)H(18)N(2)·0.5H(2)O, crystallizes with two independent organic mol­ecules (A and B) in the asymmetric unit, together with a water mol­ecule of crystallization. The diazepine rings in each mol­ecule have a chair conformation. The dihedral angle between benzene ring and the mea...

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Detalles Bibliográficos
Autores principales: Ezhilarasi, K. S., Akila, A., Ponnuswamy, S., Revathi, B. K., Usha, G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571402/
https://www.ncbi.nlm.nih.gov/pubmed/26396802
http://dx.doi.org/10.1107/S2056989015013201
Descripción
Sumario:The title compound, C(12)H(18)N(2)·0.5H(2)O, crystallizes with two independent organic mol­ecules (A and B) in the asymmetric unit, together with a water mol­ecule of crystallization. The diazepine rings in each mol­ecule have a chair conformation. The dihedral angle between benzene ring and the mean plane of the diazepine ring is 21.15 (12)° in mol­ecule A and 17.42 (11)° in mol­ecule B. In the crystal, mol­ecules are linked by N—H⋯O and O—H⋯N hydrogen bonds, forming zigzag chains propagating along [001].

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