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Crystal structure of 4-(4-meth­oxy­phen­yl)-7,7-dimethyl-2-methyl­amino-3-nitro-7,8-di­hydro-4H-chromen-5(6H)-one

In the title compound, C(19)H(22)N(2)O(5), the six-membered carbocyclic ring of the chromene moiety adopts an envelope conformation with the dimethyl-substituted C atom as the flap. The pyran ring has a flat-boat conformation. The meth­oxy­phenyl ring is orthogonal to the mean plane of the chromene...

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Detalles Bibliográficos
Autores principales: Inglebert, S. Antony, Kamalraja, Jayabal, Sethusankar, K., Perumal, Paramasivam T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186140/
https://www.ncbi.nlm.nih.gov/pubmed/25309243
http://dx.doi.org/10.1107/S160053681401589X
Descripción
Sumario:In the title compound, C(19)H(22)N(2)O(5), the six-membered carbocyclic ring of the chromene moiety adopts an envelope conformation with the dimethyl-substituted C atom as the flap. The pyran ring has a flat-boat conformation. The meth­oxy­phenyl ring is orthogonal to the mean plane of the chromene moiety, with a dihedral angle of 89.97 (8)°. The amine N atom deviates from the chromene mean plane by 0.1897 (16) Å. The methyl­amine and the nitro group are involved in an intra­molecular N—H⋯O hydrogen bond which generates an S(6) ring motif. They are slightly twisted out of the plane of the chromene moiety with torsion angles of C—N—C—O(pyran) = 2.2 (3)° and O(nitro)—N—C—C = −5.6 (2)°. In the crystal, there are only C—H⋯π inter­actions present, forming inversion-related dimers.