Research Article: 3,4-Dinitro-1H-pyrazole benzene 0.25-solvate

Date Published: June 01, 2011

Publisher: International Union of Crystallography

Author(s): Yong-Xiang Li, Shan Du, Jian-Long Wang.

http://doi.org/10.1107/S1600536811015996

Abstract

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].

Partial Text

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 ▶).

 

Source:

http://doi.org/10.1107/S1600536811015996

 

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