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

Authors

• G.A. Romeiro
• C.M.R. Ribeiro
• S.M.S.V. Wardell
• J.L. Wardell
• S.W. Ng
• E.R.T. Tiekink

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

ISSN

1600-5368

Recommended Citation

Romeiro, G.A.; Ribeiro, C.M.R.; Wardell, S.M.S.V.; Wardell, J.L.; Ng, S.W.; and Tiekink, E.R.T., "4-[(Dimethylamino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one" (2010). Research Publications (2006 to 2010). 2946.
https://knova.um.edu.my/research_publications_2006_2010/2946

Volume

66

Issue

6

Publisher

International Union of Crystallography

Publisher Location

COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA