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Crystal and molecular structure of nitraminotetrazole and nitramino-1,2,4-triazole. IV. 5-nitraminotetrazole sodium salt sesquihydrate

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Abstract

The structure of 5-nitraminotetrazole sodium salt sesquihydrate was determined by X-ray diffraction. The crystals are monoclinic, space group P21/c;a = 3.551(1) Å, b = 21.834(4) Å, c = 9.075(2) Å; β = 110.68(3)°; V = 658.3(2) Å3; Z = 4; Ρcalc = 1.807 g/cm3. The anion is planar and has an intramolecular hydrogen bond. The negative charge of the anion is localized on one of the oxygens of the nitro group. The sodium cation (c.n.6) is coordinated by three oxygen atoms of different anions and three oxygens of crystallization water. One of the crystallization water molecules is disordered in the unit cell. The anions are hydrogen-bonded with each other and with crystallization water molecules.

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Authors and Affiliations

  1. Siberian State Technological University, Krasnoyarsk

    A. M. Astakhov, L. A. Kruglyakova, A. M. Sirotinin & R. S. Stepanov

  2. L. V. Kirenskii Institute of Physics, Krasnoyarsk

    A. D. Vasiliev & M. S. Molokeev

Authors
  1. A. M. Astakhov
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  2. A. D. Vasiliev
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  3. M. S. Molokeev
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  4. L. A. Kruglyakova
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  5. A. M. Sirotinin
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  6. R. S. Stepanov
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Original Russian Text Copyright © 2004 by A. M. Astakhov, A. D. Vasiliev, M. S. Molokeev, L. A. Kruglyakova, A. M. Sirotinin, and R. S. Stepanov

Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 3, pp. 562–565, May–June 2004.

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Astakhov, A.M., Vasiliev, A.D., Molokeev, M.S. et al. Crystal and molecular structure of nitraminotetrazole and nitramino-1,2,4-triazole. IV. 5-nitraminotetrazole sodium salt sesquihydrate. J Struct Chem 45, 537–540 (2004). https://doi.org/10.1007/s10947-005-0026-5

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  • DOI: https://doi.org/10.1007/s10947-005-0026-5

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