4-[(Dimethylamino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one
Document Type
Article
Publication Date
1-1-2010
Abstract
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 angstrom. An intramolecular C-H center dot center dot center dot N hydrogen bond occurs. The crystal packing is dominated by pi-pi interactions [shortest centroid-centroid distance = 3.6312 (16) angstrom], which lead to supra-molecular chains that are linked into a three-dimensional network via C-H center dot center dot center dot 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%.
Publication Title
Acta Crystallographica Section E: Structure Reports Online
Volume
66
Issue
6
Publisher
International Union of Crystallography
Publisher Location
COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA