Skip to main content
SpringerLink
Log in

Kristallstruktur von Trimethylisocyanursäure, (CH3NCO)3, und von Trichlorisocyanursäure-1/2-Ethylenchlorid, (ClNCO)3·1/2C2H4Cl2

Crystal structure of trimethyl isocyanuric acid (CH 3 NCO)3, and of trichloro isocyanuric acid-1/2-ethylenechloride (ClNCO)3·1/2C 2 H 4 Cl 2

  • Anorganische Und Physikalische Chemie
  • Published:
Monatshefte für Chemie / Chemical Monthly Aims and scope Submit manuscript

Abstract

X-ray crystal structure analyses of (CH3NCO)3 (M) and (ClNCO)3·1/2C2H4Cl2 (C) were carried out at room temperature (MoKα, graphite monochromator, λ=0.71069 Å): 1.M=171.16, monochlinic, P21/c,a=14.848 (1) Å,b=13.400 (2) Å,c=8.149 (1) Å, β=100.87 (1)°,V=1 592.3 Å3,Z=8,F(000)=720,d x =1.428 Mgm−3, μ=76m−1,R=6.51%,R w =7.01% (964 reflections, 218 parameters). 2.M=281.89, monochlinic, P 21/c,a=9.416 (3) Å,b=5.728 (1) Å,c=18.199 (8) Å, β=98.64 (2)°,V=970.4 Å3,Z=4,F(000)=556,d x =1.929 Mgm−3, μ=1.11 mm−1,R=3.96%,R w =3.44% (605 reflections, 132 parameters). The ring systems together with the C atoms of the methyl groups in (M) and with the Cl atoms in (C) are planar and have D3h-symmetry. Bond lengths and bond angles are discussed with regard to14N-NQR,35Cl-NQR and vibrational spectroscopic data.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

Literatur

  1. Hart RM, Whitehead MA (1971) Trans Faraday Soc 67: 1569

    Google Scholar 

  2. Coppens P, Vos A (1971) Acta Cryst B 27: 146

    Google Scholar 

  3. Dehnicke K, Leimeister H (1971) Z Naturforsch 26 B: 1101

    Google Scholar 

  4. Mason R (1956) Acta Cryst 9: 405

    Google Scholar 

  5. Brown RN (1961) Acta Cryst 14: 711

    Google Scholar 

  6. Gerson StH, Worley SD, Bodor N, Kaminski JJ, Flechtner TW (1978) J Electron Spectr Rel Phenom 13: 421

    Google Scholar 

  7. Fitzky HG, Wendisch D, Holm R (1972) Angew Chem 84: 1037

    Google Scholar 

  8. Sucharda-Sobczyk A (1976) Rocz Chem 50: 647

    Google Scholar 

  9. Woldbaek T, Klaeboe P, Christensen DH (1976) Acta Chem Scand A 30: 531

    Google Scholar 

  10. Woldbaek T, Klaeboe P, Christensen DH (1976) Acta Chem Scand A 30: 547

    Google Scholar 

  11. Stutz C, Early D (1983) J Mol Struct 111: 31

    Google Scholar 

  12. Hofmann AW (1886) Chem Ber 19: 2061

    Google Scholar 

  13. Nachbaur E, Gottardi W (1966) Monatsh Chem 97: 115

    Google Scholar 

  14. Sheldrick GM (1976) SHELX 76, a computer program for crystal structure determination. Univ of Cambridge, England

    Google Scholar 

  15. Germain G, Main P, Woolfson MM (1970) Acta Cryst B 26: 274;

    Google Scholar 

  16. Motherwell S (1976) PLUTO, a program for plotting molecular and crystal structures. Cambridge Crystallographic Data Centre, England

  17. Usanmaz A (1979) Acta Cryst B 35: 1117

    Google Scholar 

  18. Zürn V, Schwarz W, Rozdzinski W, Schmidt A (1982) Z Naturforsch 37 B: 81

    Google Scholar 

Download references

Author information

Author notes

  1. Ferdinand Belaj

    Present address: Institut für Mineralogie und Kristallographie, Universität Wien, A-1010, Wien, Österreich

Authors and Affiliations

  1. Institut für Anorganische Chemie, Universität Graz, A-8010, Graz, Österreich

    Ferdinand Belaj & Edgar Nachbaur

Authors
  1. Ferdinand Belaj
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Edgar Nachbaur
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Belaj, F., Nachbaur, E. Kristallstruktur von Trimethylisocyanursäure, (CH3NCO)3, und von Trichlorisocyanursäure-1/2-Ethylenchlorid, (ClNCO)3·1/2C2H4Cl2 . Monatsh Chem 118, 1077–1085 (1987). https://doi.org/10.1007/BF00811281

Download citation

  • Received:

  • Accepted:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00811281

Keywords

Search

Navigation