In the crystal structure of the title mol-ecular salt, C(10)H(16)N(+)·C(10)H(4)N(5)O(9) (-), the components are linked through a N-Hâ¯O hydrogen bonds. R(2) (2)(8) ring motifs are formed between inversion-related barbiturate residues. Two intra-moleculer N-Hâ¯O hydrogen bonds are observed in the anion. The dihedral angle between 2,4,6-trinitro-phenyl and barbiturate rings is 53.6â (2)°. The N,N-diethyl-amine substituent is disordered and was modeled as two geometrically equivalent conformers with occupancies of 0.737â (2) and 0.273â (2).
N,N-Diethyl-anilinium 2,4-dioxo-5-(2,4,6-trinitro-phen-yl)-1,2,3,4-tetra-hydro-pyrimi-din-6-olate.
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作者:Buvaneswari Manickam, Kalaivani Doraisamyraja
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2011 | 起止号: | 2011 Dec 1; 67(Pt 12):o3452 |
| doi: | 10.1107/S1600536811049506 | ||
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