(E)-5-(2-Chloro­phen­yl)-7-ethyl-2-oxo-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepin-4-ium 2,4,6-trinitro­phenolate

In the title molecular salt, C(15)H(14)ClN(2)OS(+)·C(6)H(2)N(3)O(7) (−), protonation occurred on the double-bonded N atom. One of the nitro groups shows slight disorder over two orientations, with an occupancy ratio of 0.91:0.09. In the crystal, classical N—H⋯O hydrogen bonds, as well as C—H⋯O conta...

Descripción completa

Detalles Bibliográficos
Autores principales: Betz, Richard, Gerber, Thomas, Hosten, Eric, Dayananda, Alaloor S., Yathirajan, Hemmige S., Ramesha, A. R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275259/
https://www.ncbi.nlm.nih.gov/pubmed/22347115
http://dx.doi.org/10.1107/S1600536812002607
Descripción
Sumario:In the title molecular salt, C(15)H(14)ClN(2)OS(+)·C(6)H(2)N(3)O(7) (−), protonation occurred on the double-bonded N atom. One of the nitro groups shows slight disorder over two orientations, with an occupancy ratio of 0.91:0.09. In the crystal, classical N—H⋯O hydrogen bonds, as well as C—H⋯O contacts connect the components into a three-dimensional network. The seven-membered ring adopts a boat-like conformation. The least-squares plane defined by its non-H atoms encloses an angle of 38.99 (6)° with the benzene ring bonded to it.

Ejemplares similares