Romeiro, G.A. and Ribeiro, C.M.R. and Wardell, S.M.S.V. and Wardell, J.L. and Ng, S.W. and Tiekink, E.R.T. (2010) 4-[(Dimethylamino)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one. Acta Crystallographica Section E: Structure Reports Online, 66 (6). O1450-U1762. ISSN 1600-5368,

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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%.

Item Type: Article
Subjects: Q Science > QD Chemistry
Depositing User: Mr Faizal 2
Date Deposited: 20 Apr 2015 02:40
Last Modified: 31 Jan 2019 05:18
URI: http://eprints.um.edu.my/id/eprint/13288

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