4-[(Dimethyl-amino)methyl-idene]-2-(4-nitro-phen-yl)-1,3-oxazol-5(4H)-one

The title mol-ecule, 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 intra-molecular C-H⋯N hydrogen bond occurs. The crystal packing is dominated by π-π inter-actions [shortest centroid-centroid distance = 3.6312 (16) Å], which lead to supra-mole...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2010-05, Vol.66 (Pt 6), p.o1450-o1451
Main Authors: Romeiro, Gilberto A, Ribeiro, Carlos M R, Wardell, Solange M S V, Wardell, James L, Ng, Seik Weng, Tiekink, Edward R T
Format: Article
Language:English
Subjects:
Organic Papers
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Summary:The title mol-ecule, 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 intra-molecular C-H⋯N hydrogen bond occurs. The crystal packing is dominated by π-π inter-actions [shortest centroid-centroid distance = 3.6312 (16) Å], which lead to supra-molecular 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 approx-imately 22%.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536810018635