Kristallstruktur von Trimethylisocyanursäure, (CH3NCO)3, und von Trichlorisocyanursäure-1/2-Ethylenchlorid, (ClNCO)3·1/2C2H4Cl2 |
| |
Authors: | Ferdinand Belaj Edgar Nachbaur |
| |
Institution: | (1) Institut für Anorganische Chemie, Universität Graz, A-8010 Graz, Österreich;(2) Present address: Institut für Mineralogie und Kristallographie, Universität Wien, A-1010 Wien, Österreich |
| |
Abstract: | X-ray crystal structure analyses of (CH3NCO)3 (M) and (ClNCO)3·1/2C2H4Cl2 (C) were carried out at room temperature (MoK, graphite monochromator, =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, =100.87 (1)°,V=1 592.3 Å3,Z=8,F(000)=720,d
x
=1.428 Mgm–3, =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, =98.64 (2)°,V=970.4 Å3,Z=4,F(000)=556,d
x
=1.929 Mgm–3, =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. |
| |
Keywords: | Crystal structure Trimethyl isocyanuric acid Trichloro isocyanuric acid· 1/2Ethylenechloride 1 3 5-Trimethyl-1 3 5-perhydrotriazine-2 4 6-trione 1 3 5-Trichloro-1 3 5-perhydrotriazine-2 4 6-trione· 1/2 1 2-Dichloroethane |
本文献已被 SpringerLink 等数据库收录! |
|