Title of article :
Crystal structure of 3,3′-biisoxazole-5,5′-bis(methylene) dinitrate (BIDN)
Author/Authors :
Sausa, Rosario C. US Army Research Laboratory, USA , Pesce-Rodriguez, Rose A. US Army Research Laboratory, USA , Wingard, Leah A. US Army Research Laboratory, RDRL-WML-C, USA , Guzmán, Pablo E. US Army Research Laboratory, RDRL-WML-C, USA , Sabatini, Jesse J. US Army Research Laboratory, RDRL-WML-C, USA
Abstract :
The molecular structure of the title energetic compound, C8H6N4O8, is composed of two planar isoxazole rings and two near planar alkyl-nitrate groups (r.m.s deviation = 0.006 Å). In the crystal, the molecule sits on an inversion center, thus Z′ = 0.5. The dihedral angle between the isoxazole ring and the nitrate group is 69.58 (8)°. van der Waals contacts dominate the intermolecular interactions. Inversion-related rings are in close slip-stacked proximity, with an interplanar separation of 3.101 (3) Å [centroid–centroid distance = 3.701 (3) Å]. The measured and calculated densities are in good agreement (1.585 versus 1.610 Mg m−3).
Keywords :
crystal structure , 3,3′-bis-isoxazole-5,5′-bis-methylene dinitrate , energetic material , and ultraviolet absorption peaks , Raman , FTIR
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
