Articulo
Molecular structure and semiexternal molecular motions in 2,4,5-trichlorobenzenesulfonyl chloride, C6H2Cl4O2S
Registro en:
issn:0277-8068
issn:1572-8854
issn:1074-1542
issn:0308-4086
Autor
Rigotti, Guillermo
Alzari, Pedro M.
Navaza, A.
Wolfenson, A. E.
Pusiol, D. J.
Brunetti, A. H.
Institución
Resumen
The molecular structure of 2,4,5-trichlorobenzenesulfonyl chloride has been determined by X-ray diffraction methods. The compound is orthorhombic,Aba2, witha=16.253(12),b=17.016(9),c=7.146(5) A,V=1976(5) A3,Z=8,D=1.88 kg·mm−3, (MoKα)=0.7107 A,μ=136.8 cm−1,F(000)=1104. Data were obtained at room temperature; the finalR is 0.029 for 854 independent reflections. The substituted benzene ring is planar within experimental accuracy, the dihedral angle with the C(1)-S(1)-Cl(1) plane being 66.0(5)°. The compound has normal bond lengths and angles; some short intramolecular distances account for the maintenance of the rigid benzene frame. No significatively short intermolecular distances have been found. Confirmation of the oscillatory character of the semiexternal molecular motions operating above 180 K is accounted for. Facultad de Ciencias Exactas