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Energetic materials: The preparation and structural characterization of melaminium dinitramide and melaminium nitrate (1999)

Tanbug, Rasim ; Kirschbaum, Kristin ; Pinkerton, A. Alan

Springer

Journal of chemical crystallography 29 (1999), S. 45-55

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ISSN: 1572-8854

Keywords: Melaminium dinitramide and melaminium nitrate ; melaminium salts ; dinitramide salt ; hydrogen bonding ; X-ray structure ; energetic materials

Source: Springer Online Journal Archives 1860-2000

Topics: Geosciences , Physics

Notes: Abstract Two energetic salts of the melaminium cation have been prepared and structurally characterized from room temperature X-ray single crystal diffraction data. Melaminium dinitramide (I), triclinic, P1¯, a = 6.6861(11), b = 6.9638(16), c = 10.447(2) Å , α = 99.07(3), β = 98.30(3), γ = 108.50(3)°, V = 445.6(2) Å3, and Z = 2. Melaminium nitrate (II), monoclinic, P21/c, a = 3.5789(7), b = 20.466(4), c = 10.060(2) Å, β = 94.01(2)°, V = 735.0(3) Å3, and Z = 4. The crystal structures of both salts show distinct monoprotonated melaminium cations and dinitramide- or nitrate anions, respectively. Efficient packing in the solid state is achieved by extensive hydrogen bonding between two-dimensional zigzag ribbons of the melaminium cations and the respective anions resulting in high densities of the solid state structures of 1.74 (I) and 1.71 g/cm3 (II).

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1023/A:1009519230690

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Studies of cis-[PtCl2(PPh2nPr) (BzS{O}Bz)] by solid-state CP/MAS 31P NMR spectroscopy, single-crystal X-ray diffraction and X-ray powder diffraction: Investigation of a question concerning polymorphism versus space group ambiguity (1993)

Davies, Julian A. ; Dutremez, Sylvain G. ; Pinkerton, A. Alan

Chichester : Wiley-Blackwell

Organic Magnetic Resonance 31 (1993), S. 435-438

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ISSN: 0749-1581

Keywords: Solid-state CP/MAS 31P NMR ; Single-crystal x-ray diffraction ; X-ray powder diffraction ; cis-[PtCl2(PPh2nPr)(BzS{O}Bz)] ; Chemistry ; Analytical Chemistry and Spectroscopy

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The 31P CP/MAS NMR spectrum of cis-[PtCl2(PPh2 nPr)(BzS{O}Bz)] was found to exhibit two central resonances with appropriate couplings to 195Pt, despite the fact that a single-crystal x-ray diffraction study indicated that the complex crystallized in the monoclinic space group P21/n with Z = 4, i.e. that there is only a single crystallographically unique phosphorus atom. The possibility that the 21 screw axis was absent (i.e. that the space group was actually Pn) was examined by a reinvestigation of the original x-ray data, but no definitive evidence for the alternative space group could be obtained. An examination of a bulk sample of cis- [PtCl2(PPh2nPr)(BzS{O}Bz)] by x-ray powder diffraction and comparison of the results with data from the single-crystal x-ray diffraction experiment revealed that the crystal selected for diffraction studies was a different polymorph from the bulk of the sample which was used for the 31P CP/MAS NMR measurements. X-ray powder diffraction is thus shown to provide a valuable bridge between solid-state CP/MAS NMR measurements and single-crystal x-ray diffraction data.

Additional Material: 2 Tab.