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2-Amino-4-meth­oxy-6-methyl­pyrimidin-1-ium picrate

In the title salt, C(6)H(10)N(3)O(+)·C(6)H(2)N(3)O(7) (−), the dihedral angle between the mean planes of the benzene and pyridine rings is 3.1 (1)°. In the cation, the meth­oxy group is almost coplanar with the pyridine ring [C—O—C—N = −0.6 (2)°]. The p-nitro [C—C—N—O = −1.17 (19)°] and one o-nitro...

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Detalles Bibliográficos
Autores principales: Jasinski, Jerry P., Butcher, Ray J., Yathirajan, H. S., Narayana, B., Prakash Kamath, K.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979045/
https://www.ncbi.nlm.nih.gov/pubmed/21579227
http://dx.doi.org/10.1107/S1600536810014583
Descripción
Sumario:In the title salt, C(6)H(10)N(3)O(+)·C(6)H(2)N(3)O(7) (−), the dihedral angle between the mean planes of the benzene and pyridine rings is 3.1 (1)°. In the cation, the meth­oxy group is almost coplanar with the pyridine ring [C—O—C—N = −0.6 (2)°]. The p-nitro [C—C—N—O = −1.17 (19)°] and one o-nitro [C—C—N—O = 1.83 (19)°] group in the anion are essentially coplanar with the benzene ring. The other disordered o-nitro group containing the major occupancy [0.868 (6)] O atom is twisted −29.0 (2)° from the mean plane of the benzene ring. A bifurcated N—H⋯(O.O) hydrogen bond and weak C—H⋯O intermolecular inter­action between the cation and anion produce a network of infinite O—H⋯O—H⋯O—H chains along the c axis in the [101] plane which helps to establish crystal packing. Comparison to a DFT computational calculation indicates that significant conformational changes occur in the free state.