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6-Amino-4-(3-nitrophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile ethanol solvate.

Authors :
Xu, Jia-Ning
Jia, Run-Hong
Tu, Shu-Jiang
Source :
Acta Crystallographica: Section E. Jul2007, Vol. 63 Issue 7, po3342-o3343. 1p. 4 Diagrams, 1 Chart.
Publication Year :
2007

Abstract

The title compound, C13H7N5O3·C2H6O, was synthesized by the reaction of 2-cyanoacetamide, malononitrile and 3-nitrobenzaldehyde in water. The asymmetric unit contains two crystallographically independent 6-amino-4-(3-nitrophenyl)-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile molecules of similar conformation and two ethanol solvent molecules. The nitro group of one molecule is disordered over two positions with site-occupation factors of 0.688 (17) and 0.312 (17). The dihedral angles between the pyridine and benzene rings are 52.06 (11) and 65.12 (13)° in the two molecules. The crystal packing is stabilized by N—H...O, N—H...N, O—H...O and C—H...O intra- and intermolecular hydrogen bonds. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
16005368
Volume :
63
Issue :
7
Database :
Academic Search Index
Journal :
Acta Crystallographica: Section E
Publication Type :
Academic Journal
Accession number :
25700580
Full Text :
https://doi.org/10.1107/S160053680703053X