Ring geometry and secondary interactions in a salt of S3N2Cl+; the crystal structure of 1-chloro- 1,2,4-trithia-3,5-diazolium tetrachloroferrate(III) |
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Authors: | Harrison MM Shearer Arthur J Banister Joan Halfpenny Graham Whitehead |
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Institution: | Department of Chemistry, University of Durham, South Road, Durham DH1 3LE, England |
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Abstract: | The structure of the title compound has been determined using single crystal X-ray methods. The tetrachloroferrate(III) ion is approximately tetrahedral, with three FeCl bonds at 2.178(2), 2.182(2) and 2.183(2) Å, and one, FeCl(2), at 2.215(2) Å, which is weakened by interactions between Cl(2) and two sulphurs of the cation. The four sulphur-nitrogen distancesl.546(6)1.604(6) Å, mean 1.578 Å] are typical of a delocalised SN system; the two-coordinate atoms (only) are coplanar within experimental error. The S(2)S(3) bond 2.181(2) Å] and exocyclic S(2)Cl(1) bond 2.086(2) Å] are respectively 0.045 Å longer and 0.08 Å shorter than in S3N2Cl+Cl?; this is interpreted as being due to weaker cation-anion interaction in the tetrachloroferrate (III) salt. Ring angles at S(1) 105.8(3)°], N(2) 121.5(4)°], S(3) 95.6(2)°] S(2) 95.9(2)°] and N(1) 119.6(4)°] are under compression due to constraint within the small ring. |
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Keywords: | Author to whom correspondence should be addressed |
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