Preparation and structure characterization of 4-amino-1,2,4-triazol-5-one hydrate

被引:0
|
作者
Zhang, JG [1 ]
Zhang, TL
Yu, KB
机构
[1] Beijing Inst Technol, Dept Mech Engn, Beijing 100081, Peoples R China
[2] Chinese Acad Sci, Chengdu Branch, Ctr Anal & Measurement, Chengdu 610041, Peoples R China
来源
KHIMIYA GETEROTSIKLICHESKIKH SOEDINENII | 2003年 / 04期
关键词
4-amino-1,2,4-triazol-5-one; molecular structure; crystal structure; structure characterization;
D O I
暂无
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
4-Amino-1,2,4-triazol-5-one hydrate (ATO.H2O) was prepared and its structure was analyzed by four-circle diffraction measurement. The obtained results show that the crystal belongs to triclinic crystal system, space group P (1) over bar with crystal parameters of a = 6.432(1) Angstrom, b = 6.551(1) Angstrom, c = 6340(1) Angstrom, alpha = 68.04(1)degrees, beta = 82.18(1)degrees, gamma = 81.90(1)degrees, V = 259.7(7) Angstrom(3), Z = 2, D-c = 1.5 10 g/cm(3), mu = 0. 131 mm(-1), F(000) = 124. ATO.H2O was characterized by FT-IR analysis, X-ray diffraction analysis and single crystal diffraction analysis.
引用
收藏
页码:542 / 547
页数:6
相关论文
共 50 条
  • [1] Preparation and structure characterization of 4-amino-1,2,4-triazol-5-one hydrate
    Zhang Jianguo
    Zhang Tonglai
    Yu Kaibei
    Chemistry of Heterocyclic Compounds, 2003, 39 (4) : 461 - 466
  • [2] Molecular structure of 4-amino-1,2,4-triazol-5-one and a density-functional theoretical investigation of its dimers and crystal band structure
    Ma, Haixia
    Xiao, Herning
    Song, Jirong
    Ju, Xuehai
    Zhu, Wei
    Yu, Kaibei
    CHEMICAL PHYSICS, 2008, 344 (1-2) : 79 - 89
  • [3] Promising hydrazinium 3-Nitro-1,2,4-triazol-5-one and its analogs
    Zhang, Man
    Li, Chuan
    Gao, Huiqi
    Fu, Wei
    Li, Yingying
    Tang, Liwei
    Zhou, Zhiming
    JOURNAL OF MATERIALS SCIENCE, 2016, 51 (24) : 10849 - 10862
  • [4] Crystal structure and thermal analysis of diaquadi (1,2,4-triazol-5-one)zinc(II) ion nitrate
    Li, N.
    Chen, S. P.
    Gao, S. L.
    JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 2007, 89 (02) : 583 - 588
  • [5] Synthesis, structure characterization, Hirshfeld surface analysis, and computational studies of 3-nitro-1,2,4-triazol-5-one (NTO):acridine
    Sen, Nilgun
    Pons, Jean-Francois
    Zorlu, Yunus
    Dossi, Eleftheria
    Persico, Federica
    Temple, Tracey
    Aslan, Nazife
    Khumsri, Akachai
    STRUCTURAL CHEMISTRY, 2024, 35 (06) : 1865 - 1879
  • [6] Crystal structure and thermal analysis of diaquadi (1,2,4-triazol-5-one)zinc(II) ion nitrate
    N. Li
    S. P. Chen
    S. L. Gao
    Journal of Thermal Analysis and Calorimetry, 2007, 89 : 583 - 588
  • [7] Synthesis, characterization, thermal properties and theoretical investigation on Bis(guanidinium) 4,4′-azo-1H-1,2,4-triazol-5-one
    Cao, Wen-li
    Guo, Jia-jia
    Chen, Xiang
    Ding, Zi-mei
    Xu, Kang-zhen
    Song, Ji-rong
    Fan, An
    Huang, Jie
    JOURNAL OF MOLECULAR STRUCTURE, 2017, 1147 : 754 - 762
  • [8] Thermal decomposition mechanism and quantum chemical investigation of hydrazine 3-nitro-1,2,4-triazol-5-one (HNTO)
    Yi, Jian-Hua
    Zhao, Feng-Qi
    Ren, Ying-Hui
    Xu, Si-Yu
    Ma, Hai-Xia
    Hu, Rong-Zu
    JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 2010, 100 (02) : 623 - 627
  • [9] Synthesis, characterization and theoretical determination of corrosion inhibitor activities of some new 4,5-dihydro-1H-1,2,4-Triazol-5-one derivatives
    Beytur, Murat
    Irak, Zeynep Turhan
    Manap, Sevda
    Yuksek, Haydar
    HELIYON, 2019, 5 (06)
  • [10] Synthesis and crystal structure of a two-dimensional sodium coordination polymer of 4,4′-(diazenediyl)bis(1H-1,2,4-triazol-5-one)
    Guo, Jiajia
    Cao, Wenli
    Li, Shuailei
    Miao, Kanghua
    Song, Jirong
    Huang, Jie
    ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2016, 72 : 166 - +