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. 2014 Feb 22;70(Pt 3):o325.
doi: 10.1107/S1600536814003456. eCollection 2014 Mar 1.

3-Methyl-4,5-di-hydro-oxazolium tetra-phenyl-borate

Ioannis Tiritiris  1 , Stefan Saur  1 , Willi Kantlehner  1
Affiliations

3-Methyl-4,5-di-hydro-oxazolium tetra-phenyl-borate

Ioannis Tiritiris et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the cation of the title salt, C4H8NO(+)·C24H20B(-), the C-N bond lengths are 1.272 (2), 1.4557 (19) and 1.4638 (19) Å, indicating double- and single-bond character, respectively. The C-O bond length of 1.3098 (19) Å shows that double-bond character and charge delocalization occurs within the NCO plane of the cation. In the crystal, a C-H⋯π inter-action is present between the methyl-ene H atom of the cation and one phenyl ring of the tetra-phenyl-borate ion. The latter forms an aromatic pocket in which the cation is embedded.

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Figures

Fig. 1.
Fig. 1.
The structure of the title compound with displacement ellipsoids at the 50% probability level. All carbon bonded hydrogen (except of H2) atoms were omitted for the sake of clarity.
Fig. 2.
Fig. 2.
C–H···π interaction (red dashed line) between the hydrogen atom H2 of the cation and the phenyl carbon atoms (centroid) of the tetraphenylborate ion.
See this image and copyright information in PMC

References

    1. Behrens, U., Hoffmann, F. & Olbrich, F. (2012). Organometallics, 31, 905–913.
    1. Brandenburg, K. & Putz, H. (2005). DIAMOND Crystal Impact GbR, Bonn, Germany.
    1. Bruker (2008). APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Kantlehner, W. & Gutbrod, H.-D. (1979). Liebigs Ann. Chem. pp. 1362–1369.
    1. Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. - PubMed