Electron-diffraction investigation of the molecular structure of sulphonyl chloride isocyanate

Jon Brunvoll, István Hargittai, Ragnhild Seip

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Abstract

The electron-diffraction data for the title compound are consistent with two sets of geometric parameters differing in the relation between the C=O and N=C bond lengths. The other geometric parameters are: S-N 1.656(4), S-Cl 2.019(3), and S=O 1.417(3) Å; S-N-C 123.8(38) N-S=O 108.3(22), N-S-Cl 98.0(30), Cl-S=O 107.8(7), and O=S=O 122.8(24)/. The conformational properties may be characterised in two ways: (i) by a mixture of two forms having rotation angles of 109(4) and 70(10)° (0 ° corresponds to a form in which the S-Cl bond is anti to the O=C=N chain) in which the first form predominates [69(7)%]; (ii) by one form having a rotation angle of 86(3)° and a large amplitude of rotation around the S-N bond. The observed molecular geometry is consistent with structural variations found in isocyanates and in sulphonyl chlorides.

Original languageEnglish
Pages (from-to)299-302
Number of pages4
JournalJournal of the Chemical Society, Dalton Transactions
Issue number4
DOIs
Publication statusPublished - Dec 1 1978

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ASJC Scopus subject areas

  • Chemistry(all)

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