The molecular structure of benzene sulphonyl chloride
1976; Elsevier BV; Volume: 30; Issue: 2 Linguagem: Inglês
10.1016/0022-2860(76)87013-5
ISSN1872-8014
Autores Tópico(s)Structural and Chemical Analysis of Organic and Inorganic Compounds
ResumoAn electron diffraction structure analysis was carried out on benzene sulphonyl chloride, C6H5SO2Cl, utilizing data from concurrent vibrational spectroscopie calculations. The following bond lengths (ra parameters): C-H 1.14 ± 0.03 Å, C-C 1.403 ± 0.010 Å, S-O 1.417 ± 0.012 Å, C-S 1.764 ± 0.009 Å and S-Cl 2.047 ± 0.008 Å and bond angles (rα parameters): C-S-C1 100.9 ± 2.0°, C-S-O 110.0 ± 2.5°, O-S-O 122.5 ± 3.6° and O-S-Cl 105.5 ± 1.8° were determined for an asymmetric model in which the benzene ring is rotated by 75.3 ± 5.0° relative to the plane containing the sulphur-chlorine bond and bisecting the O-S-O angle. The experimental data could equally well be approximated by a symmetric model with the benzene ring perpendicular to the reference plane described previously, if a particularly large amplitude of vibration was associated with the shortest rotation-dependent carbon-chlorine distance. The bond configuration around the sulphur atom in benzene sulphonyl chloride is consistent with the structural variations observed for a series of sulphone molecules.
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