Abstract
A single-crystal X-ray diffraction study verified that the target oxidizer molecule 2,4-dinitroimidazole (24DNI) had been synthesized by thermal rearrangement of 1,4-dinitroimidazole. 24DNI crystallizes in the orthorhombic space group Pbca with unit-cell dimensionsa=10.127(2),b=18.497(2),c=6.333(2) Å, andZ=8 and has a density of 1.770 g/cm3. The molecular packing consists of hydrogen-bonded chains of 24DNI molecules [N(1)−H(1)...N(3)] in thea direction which are held together in the lateral direction by molecular forces. Some structural features of 24DNI·are compared with those of 1,4-dinitroimidazole.
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References
Damavarapu, R. Private Communication, U.S. Army ARDEC, Picatinny Arsenal, NJ 07806-5000, 1994.
Gilmore, C. J.J. Appl. Cryst. 1984,17, 4.
Molecular Structure Corporation. TEXSAN. TEXRAY Structure Analysis Package. 1985. 3200 Research Forrest, Drive, The Woodlands, TX.
Johnson, C. K.ORTEP—A FORTRAN Thermal Ellipsoid Plot Program; Technical Report ORNL-5138: Oak Ridge, 1976.
De Bondt, H. L.; Ragia, E.; Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.Acta Crystallogr. 1993,C49, 693.
Grimmett, M. R.; Hua, S.; Chang, K.; Foley, S.; Simpson, J.Aust. J. Chem. 1989,42, 1281.
Larsen, I. K.Acta Crystallogr. 1984,C40, 285.
Craven, B. M.; McMullan, R. K.; Bell, J. D.; Freeman, H. C.Acta Crystallogr. 1977,B33, 2585.
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Bracuti, A.J. Crystal structure of 2,4-dinitroimidazole (24DNI). J Chem Crystallogr 25, 625–627 (1995). https://doi.org/10.1007/BF01665967
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DOI: https://doi.org/10.1007/BF01665967