Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 7 (July 2002)



HTML versionpdf versioncif file3d viewstructure factorssimilar papers buy article online

Acta Cryst. (2002). C58, o409-o415    [doi:10.1107/S0108270102009381]

Tetrameric triphenylsilanol, (Ph3SiOH)4, and the adduct (Ph3SiOH)2-dimethyl sulfoxide, both at 120  K, and the adduct (Ph3SiOH)4-1,4-dioxan at 150  K: interplay of O-H...O and C-H...[bold pi](arene) interactions

K. F. Bowes, C. Glidewell and J. N. Low

Abstract: The structure of tetrameric triphenylsilanol, C18H16OSi, (I), has been re-investigated at 120  (2)  K. The hydroxyl H atoms were readily located and one of the arene rings is disordered over two closely positioned sets of sites. The molecules are linked into cyclic tetramers, having approximate \overline 4 (S4) symmetry, via O-H...O hydrogen bonds [H...O 1.81-1.85  Å, O...O 2.634  (3)-2.693  (3)  Å and O-H...O 156-166°]. At ambient temperature, there are indications of multiple disorder of the phenyl-ring sites. In bis(triphenylsilanol) dimethyl sulfoxide solvate, 2C18H16OSi·C2H6OS, (II), the dimethyl sulfoxide component is disordered across a twofold rotation axis in C2/c, and the molecular components are linked by a single O-H...O hydrogen bond [H...O 1.85  Å, O...O 2.732  (2)  Å and O-H...O 172°] into three-molecule aggregates, which are themselves linked into a single three-dimensional framework by two C-H...[bold pi](arene) interactions. In tetrakis(triphenylsilanol) 1,4-dioxan solvate, 4C18H16OSi·C4H8O2, (III), the 1,4-dioxan component lies across an inversion centre in space group P\overline 1 and centrosymmetric five-molecule aggregates are linked by paired C-H...[bold pi](arene) interactions to form molecular ladders.

Formula: C18H16OSi, 2C18H16OSi·C2H6OS and 4C18H16OSi·C4H8O2

Online 20 June 2002


hkldisplay filedownload file

Structure factor file (CIF format) (1235.1 kbytes)
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (186.8 kbytes)
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (337.9 kbytes)
Contains datablock III


Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.


Copyright © International Union of Crystallography
IUCr Webmaster