Copyright (c) 2014 AJC
This work is licensed under a Creative Commons Attribution 4.0 International License.
Synthesis and Crystal Structure of 4-Methyl-5-nitro-1,2,3-triazole
Corresponding Author(s) : Jun Dong
Asian Journal of Chemistry,
Vol. 26 No. 15 (2014): Vol 26 Issue 15
Abstract
4-Methyl-5-nitro-1,2,3-triazole was synthesized from ethyl 2,2-dinitroacetate by cyclization. The structure of the compound was characterized by 1H NMR, 13C NMR, FT-IR, elementary analysis and X-ray single-crystal diffraction analysis. The title compound (C3H4N4O2, Mr = 129.11) was crystallized in orthorhombic system, Pbca space group with a = 8.7139(17), b = 9.8198(19), c = 12.889(3)Å, V = 1102.9(4) Å3, Z = 8, Dc = 1.555 g/cm3, l = 0.071073 Å, μ(MoKa) = 0.131 mm-1, F(000) = 536, S = 1.021, R = 0.0490 and wR = 0.1468 for 1559 observed reflections with I > 2s(I).
Keywords
Download Citation
Endnote/Zotero/Mendeley (RIS)BibTeX
- M.B. Talawar, R. Sivabalan, N. Senthilkumar, G. Prabhu and S.N. Asthana, J. Hazard. Mater., 113, 11 (2004); doi:10.1016/j.jhazmat.2004.05.016.
- Z.-Y. Yan, Y.-B. Zhao, M.-J. Fan, W.-M. Liu and Y.-M. Liang, Tetrahedron, 61, 9331 (2005); doi:10.1016/j.tet.2005.07.060.
- R. Wang, H. Gao, C. Ye and J.M. Shreeve, Chem. Mater., 19, 144 (2007); doi:10.1021/cm062415a.
- Z.-Y. Wang, Chinese J. Energ. Mater., 11, 227 (2003).
- K.T. Finlty, Triazole-1,2,3 in Chemistry of Heterocyclic Compounds (1980).
- H. Huo, B.-Z. Wang and Q. Liu, Chem. Reagent, 31, 490 (2009).
- G.M. Sheldrick, SHELXL-97, Program for Crystal Structure Refinement, University of Göttingen, Germany (1997).
- G.M. Sheldrick, SHELXTS-97, Program for Crystal Structure Solution, University of Göttingen, Germany (1997).
References
M.B. Talawar, R. Sivabalan, N. Senthilkumar, G. Prabhu and S.N. Asthana, J. Hazard. Mater., 113, 11 (2004); doi:10.1016/j.jhazmat.2004.05.016.
Z.-Y. Yan, Y.-B. Zhao, M.-J. Fan, W.-M. Liu and Y.-M. Liang, Tetrahedron, 61, 9331 (2005); doi:10.1016/j.tet.2005.07.060.
R. Wang, H. Gao, C. Ye and J.M. Shreeve, Chem. Mater., 19, 144 (2007); doi:10.1021/cm062415a.
Z.-Y. Wang, Chinese J. Energ. Mater., 11, 227 (2003).
K.T. Finlty, Triazole-1,2,3 in Chemistry of Heterocyclic Compounds (1980).
H. Huo, B.-Z. Wang and Q. Liu, Chem. Reagent, 31, 490 (2009).
G.M. Sheldrick, SHELXL-97, Program for Crystal Structure Refinement, University of Göttingen, Germany (1997).
G.M. Sheldrick, SHELXTS-97, Program for Crystal Structure Solution, University of Göttingen, Germany (1997).