Structure of the 1:1 complex between hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and tetrahydrothiophene 1,1-dioxide (sulfolane), C3H6N6O6.C4H8O2S

Abstract

Abstract. M r = 342.28, triclinic, P1, a = 6.238 (2), b=10.241(3), c=11.271(3)A, t~=100.65 (2), fl =100.50(3), 7=94.193(3) o, V=691.5(4)/~ 3, Z =2, D x=1.64gcm -3, MoKt~, 2=0.71073/k, /t= 2.66 cm -l, F(000) = 340, T= 298 K, R v = 0.040 for 1605 observed reflections. The RDX molecule contains all of the three possible orientations of the NO2 groups (axial, equatorial, and planar). The ring conformation is chair. The sulfolane molecule is regular and normal, but may be partly responsible for the rather unusual positioning of the NO 2 groups of the RDX molecule.

Porous Cyclotrimethylenetrinitramine with Reduced Sensitivity Prepared by a Solvation–Desolvation Method

“…Although the synthesis of these three RDX solvates has been reported, only the crystal structure of RDX·TMS has been reported . Here, the crystal structures of RDX·CAM and RDX·HMPT were first determined by single-crystal X-ray diffraction.…”

“…Although the synthesis of these three RDX solvates has been reported, only the crystal structure of RDX•TMS has been reported. 24 Here, the crystal structures of RDX•CAM and RDX•HMPT were first determined by singlecrystal X-ray diffraction. These three RDX solvates have similar composition, with the RDX-to-solvent molecule ratio equal to 1:1.…”

Structure-Thermolysis Relationships for Energetic Materials

“…The small excursions from planarity at the amine nitrogen atom follow no systematic pattern, which implies that packing and steric requirements are predominately responsible for distortions. In fact, the RDX molecule in RDX-sulfolane contains one planar, one exo and one endo NN02 group [24] clearly showing that a low barrier to distortion exists. For this reason, we have discounted a previous attempt to explain the rate of N02 production from gaseous nitr'amines on the basis of planar and pyramidal distortions of the amine nitrogen atom [25].…”

“…By using energetic metal complexes, the energy of the crystal would not be diluted. Attention was paid to the ways that polar organic molecules are incorporated into the RDX and HMX lattice and interact with nitramines [24,61,62]. Numerous metal complexes with the appropr ia te structural fea tures to optimi ze success were prepared.…”

Crystal engineering of energetic materials: Co-crystals of CL-20

“…Although numerous solvates of the high explosives HMX (1,3,5,7-tetranitro-1,3,5,7tetraazacyclooctane) and RDX (1,3,5-trinitrohexahydro-1,3,5-triazine) have been identified spectroscopically, 11,12 only six of these have been structurally characterised. [13][14][15][16] In addition, 2,4,6trinitrotoluene (TNT) has recently been the subject of a thorough co-crystallisation screening, the result of which was the structural characterisation of 17 co-crystals of TNT with a range of aromatic and heterocyclic co-formers. 4 Therefore, in order to exploit the potential for new energetic co-crystals with tailored properties, it is necessary to develop a library of supramolecular synthons suitable for their rational design.…”