3,4-Dinitro-1H-pyrazole benzene 0.25-solvate

The asymmetric unit of the title compound, 4C(3)H(2)N(2)O(4)·C(6)H(6), contains two independent dinitro­pyrazole mol­ecules and half a benzene solvent mol­ecule, which lies on a crystallographic inversion centre. Each pyrazole ring is essentially planar (mean deviations of 0.009 and 0.002 Å), with t...

Descripción completa

Detalles Bibliográficos
Autores principales: Li, Yong-Xiang, Du, Shan, Wang, Jian-Long
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120617/
https://www.ncbi.nlm.nih.gov/pubmed/21754761
http://dx.doi.org/10.1107/S1600536811015996
Descripción
Sumario:The asymmetric unit of the title compound, 4C(3)H(2)N(2)O(4)·C(6)H(6), contains two independent dinitro­pyrazole mol­ecules and half a benzene solvent mol­ecule, which lies on a crystallographic inversion centre. Each pyrazole ring is essentially planar (mean deviations of 0.009 and 0.002 Å), with the two nitro groups rotated out of the plane [dihedral angles = 11.7 (2)/31.1 (1) and 21.8 (2)/25.0 (1)° for the two mol­ecules].

Ejemplares similares