4-[(Dimethyl­amino)methyl­idene]-2-(4-nitro­phen­yl)-1,3-oxazol-5(4H)-one

The title mol­ecule, C(12)H(11)N(3)O(4), is essentially planar, the r.m.s. deviation for all non-H atoms being 0.068 Å. An intra­molecular C—H⋯N hydrogen bond occurs. The crystal packing is dominated by π–π inter­actions [shortest centroid–centroid distance = 3.6312 (16) Å], which lead to supra­mole...

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Detalles Bibliográficos
Autores principales: Romeiro, Gilberto A., Ribeiro, Carlos M. R., Wardell, Solange M. S. V., Wardell, James L., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979566/
https://www.ncbi.nlm.nih.gov/pubmed/21579521
http://dx.doi.org/10.1107/S1600536810018635
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author Romeiro, Gilberto A.
Ribeiro, Carlos M. R.
Wardell, Solange M. S. V.
Wardell, James L.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Romeiro, Gilberto A.
Ribeiro, Carlos M. R.
Wardell, Solange M. S. V.
Wardell, James L.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Romeiro, Gilberto A.
collection PubMed
description The title mol­ecule, C(12)H(11)N(3)O(4), is essentially planar, the r.m.s. deviation for all non-H atoms being 0.068 Å. An intra­molecular C—H⋯N hydrogen bond occurs. The crystal packing is dominated by π–π inter­actions [shortest centroid–centroid distance = 3.6312 (16) Å], which lead to supra­molecular chains that are linked into a three-dimensional network via C—H⋯O contacts. The crystal was found to be a non-merohedral twin (twin law −1 0 0/0 −1 0/ 0.784 0 1), the fractional contribution of the minor component being approx­imately 22%.
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spelling pubmed-29795662010-12-30 4-[(Dimethyl­amino)methyl­idene]-2-(4-nitro­phen­yl)-1,3-oxazol-5(4H)-one Romeiro, Gilberto A. Ribeiro, Carlos M. R. Wardell, Solange M. S. V. Wardell, James L. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title mol­ecule, C(12)H(11)N(3)O(4), is essentially planar, the r.m.s. deviation for all non-H atoms being 0.068 Å. An intra­molecular C—H⋯N hydrogen bond occurs. The crystal packing is dominated by π–π inter­actions [shortest centroid–centroid distance = 3.6312 (16) Å], which lead to supra­molecular chains that are linked into a three-dimensional network via C—H⋯O contacts. The crystal was found to be a non-merohedral twin (twin law −1 0 0/0 −1 0/ 0.784 0 1), the fractional contribution of the minor component being approx­imately 22%. International Union of Crystallography 2010-05-26 /pmc/articles/PMC2979566/ /pubmed/21579521 http://dx.doi.org/10.1107/S1600536810018635 Text en © Romeiro et al. 2010 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 Organic Papers
Romeiro, Gilberto A.
Ribeiro, Carlos M. R.
Wardell, Solange M. S. V.
Wardell, James L.
Ng, Seik Weng
Tiekink, Edward R. T.
4-[(Dimethyl­amino)methyl­idene]-2-(4-nitro­phen­yl)-1,3-oxazol-5(4H)-one
title 4-[(Dimethyl­amino)methyl­idene]-2-(4-nitro­phen­yl)-1,3-oxazol-5(4H)-one
title_full 4-[(Dimethyl­amino)methyl­idene]-2-(4-nitro­phen­yl)-1,3-oxazol-5(4H)-one
title_fullStr 4-[(Dimethyl­amino)methyl­idene]-2-(4-nitro­phen­yl)-1,3-oxazol-5(4H)-one
title_full_unstemmed 4-[(Dimethyl­amino)methyl­idene]-2-(4-nitro­phen­yl)-1,3-oxazol-5(4H)-one
title_short 4-[(Dimethyl­amino)methyl­idene]-2-(4-nitro­phen­yl)-1,3-oxazol-5(4H)-one
title_sort 4-[(dimethyl­amino)methyl­idene]-2-(4-nitro­phen­yl)-1,3-oxazol-5(4h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979566/
https://www.ncbi.nlm.nih.gov/pubmed/21579521
http://dx.doi.org/10.1107/S1600536810018635
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