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. 2013 Oct 26;69(Pt 11):o1713.
doi: 10.1107/S1600536813028924.

N,N,N-Tri-butyl-butan-1-aminium (T-4)-(cyano-κC)tri-hydro-borate

Affiliations

N,N,N-Tri-butyl-butan-1-aminium (T-4)-(cyano-κC)tri-hydro-borate

Thierry Maris. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the crystal structure of the title salt, C16H36N(+)·CH3BN(-), the tetra-n-butyl-ammonium cations and [BH3(CN)](-) anions are connected via weak C-H⋯N inter-actions, forming chains along the b-axis direction. The anion is almost linear with an N-C-B angle of 178.7 (2)°. The C-N-C angle values at the core of the tetra-n-butyl-ammonium cation range from 105.74 (11) to 111.35 (11)° with an average of 109.49 (11)°, close to the ideal tetra-hedral value.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound, with atomic numbering scheme and 50% probability displacement ellipsoids for non-hydrogen atoms. Hydrogen atoms are drawn as spheres of arbitrary radius with hydrogen bonds drawn as dashed lines.
Fig. 2.
Fig. 2.
Projection along the a-axis showing the chains running along the b-axis made by the weak C—H···N interactions (dashed lines). Hydrogen atoms not involved in these interactions have been removed for clarity.

References

    1. Alder, R. W., Maunder, C. M. & Orpen, A. G. (1990). Tetrahedron Lett. 31, 6717–6720.
    1. Bruker (2013). APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Custelcean, R. & Jackson, J. E. (1998). J. Am. Chem. Soc. 120, 12935–12941.
    1. Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339–341.
    1. Hutchins, R. O. & Kandasamy, D. (1973). J. Am. Chem. Soc. 95, 6131–6132.