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. 2013 Apr 5;69(Pt 5):o634.
doi: 10.1107/S1600536813007484. Print 2013 May 1.

2,4-Bis(dimethyl-amino)-1,3,5-trimethyl-6-(nitro-oxy)borazine

Mark A Rodriguez  1 , Theodore T Borek
Affiliations

2,4-Bis(dimethyl-amino)-1,3,5-trimethyl-6-(nitro-oxy)borazine

Mark A Rodriguez et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C7H21B3N6O3, the r.m.s. deviation of the borazine ring atoms is 0.019 Å. The dimethyl-amino groups are orientated at 41.80 (7) and 36.43 (7)° with respect to the borazine ring. The nitro-oxy group is almost normal to the borazine ring [dihedral angle = 85.33 (14)°]. The methyl C atom trans to the NO3 group is displaced by -0.512 (3) Å from the ring plane, whereas the two ortho-methyl C atoms are displaced by 0.239 (3) and 0.178 (3) Å.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of (I), with atom labels and 50% probability displacement ellipsoids for non-H atoms.
Fig. 2.
Fig. 2.
View of molecule (I) with superimposed borazine plane to illustrate devaitions of methyl, dimethylamine, and nitrooxy ligands from the borazine plane. H atoms have been removed for clarity. See text for details.
Fig. 3.
Fig. 3.
Packing diagram for (I) showing relative orientation of molecules in unit cell. H atoms have been removed for clarity.
See this image and copyright information in PMC

References

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    1. Rodriguez, M. A. & Borek, T. T. (2013). Acta Cryst. E69, o309. - PMC - PubMed