Crystal structures of the dihydrogen hexafluorosilicate monohydrates ofp-bromoaniline andp-toluidine |
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Authors: | W. A. Denne A. McL Mathieson M. F. Mackay |
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Affiliation: | 1. Division of Chemical Physics, C.S.I.R.O., P.O. Box 160, 3168, Clayton, Victoria, Australia 2. Chemistry Department, Melbourne University, 3052, Parkville, Victoria, Australia
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Abstract: | Analysis of X-ray counter data for the dihydrogen hexafluorosilicate monohydrates ofp-bromoaniline, BrC6H4NH2.1/2H2SiF6.H2O, andp-toluidine, CH3C6H4NH2.1/2H2SiF6.H2O, has shown that the two compounds are isostructural and that the orthorhombic crystals belong to the space groupPbca, witha = 7·80,b = 24·45,c = 9·48 Å anda = 7·89,b = 23·87,c = 9·53 Å, respectively, there being eight molecules in each unitcell. Structure analysis was initiated by the heavy atom method, and subsequent difference syntheses, carried out on thep-bromoaniline compound, then on thep-toluidine analogue, revealed the entire structure apart from the hydrogen atoms. From a difference synthesis on data for thep-toluidine compound refined by full-matrix least-squares procedures, the hydrogen atom sites were located, a reliability index,R = 0·052, being attained. The structures are sheet-like with bi-polar grouping of amino groups on either side of sheets of SiF 6 2? groups and are cross-linked by ionic forces and hydrogen bonds. The SiF 6 2? ion is octahedral, with an average Si-F distance of 1·69 ± 0·02 Å. |
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