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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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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
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author Inglebert, S. Antony
Kamalraja, Jayabal
Sethusankar, K.
Perumal, Paramasivam T.
author_facet Inglebert, S. Antony
Kamalraja, Jayabal
Sethusankar, K.
Perumal, Paramasivam T.
author_sort Inglebert, S. Antony
collection PubMed
description 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.
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spelling pubmed-41861402014-10-12 Crystal structure of 4-(4-meth­oxy­phen­yl)-7,7-dimethyl-2-methyl­amino-3-nitro-7,8-di­hydro-4H-chromen-5(6H)-one Inglebert, S. Antony Kamalraja, Jayabal Sethusankar, K. Perumal, Paramasivam T. Acta Crystallogr Sect E Struct Rep Online Data Reports 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. International Union of Crystallography 2014-08-01 /pmc/articles/PMC4186140/ /pubmed/25309243 http://dx.doi.org/10.1107/S160053681401589X Text en © Inglebert et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Inglebert, S. Antony
Kamalraja, Jayabal
Sethusankar, K.
Perumal, Paramasivam T.
Crystal structure of 4-(4-meth­oxy­phen­yl)-7,7-dimethyl-2-methyl­amino-3-nitro-7,8-di­hydro-4H-chromen-5(6H)-one
title Crystal structure of 4-(4-meth­oxy­phen­yl)-7,7-dimethyl-2-methyl­amino-3-nitro-7,8-di­hydro-4H-chromen-5(6H)-one
title_full Crystal structure of 4-(4-meth­oxy­phen­yl)-7,7-dimethyl-2-methyl­amino-3-nitro-7,8-di­hydro-4H-chromen-5(6H)-one
title_fullStr Crystal structure of 4-(4-meth­oxy­phen­yl)-7,7-dimethyl-2-methyl­amino-3-nitro-7,8-di­hydro-4H-chromen-5(6H)-one
title_full_unstemmed Crystal structure of 4-(4-meth­oxy­phen­yl)-7,7-dimethyl-2-methyl­amino-3-nitro-7,8-di­hydro-4H-chromen-5(6H)-one
title_short Crystal structure of 4-(4-meth­oxy­phen­yl)-7,7-dimethyl-2-methyl­amino-3-nitro-7,8-di­hydro-4H-chromen-5(6H)-one
title_sort crystal structure of 4-(4-meth­oxy­phen­yl)-7,7-dimethyl-2-methyl­amino-3-nitro-7,8-di­hydro-4h-chromen-5(6h)-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186140/
https://www.ncbi.nlm.nih.gov/pubmed/25309243
http://dx.doi.org/10.1107/S160053681401589X
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