Date Published: June 01, 2011
Publisher: International Union of Crystallography
Author(s): Yong-Xiang Li, Shan Du, Jian-Long Wang.
The asymmetric unit of the title compound, 4C3H2N2O4·C6H6, 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].
For the biological properties of polynitropyrazoles, see: Alejandre-Durán et al. (1986 ▶); Grigor’ev et al. (1998) ▶; Xuan et al. (1999 ▶). For their detonation properties, see: Keshavarz et al. (2007 ▶); Zaitsev et al. (2009) ▶. For the synthesis, see: Katritzky et al. (2005 ▶).