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. 2011 Oct 1;67(Pt 10):o2762.
doi: 10.1107/S1600536811038797. Epub 2011 Sep 30.

2,4-Diamino-6-methyl-1,3,5-triazin-1-ium tetra-fluoro-borate

Affiliations

2,4-Diamino-6-methyl-1,3,5-triazin-1-ium tetra-fluoro-borate

Sundaramoorthy Gomathi et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the crystal structure of the title salt, C(4)H(8)N(5) (+)·BF(4) (-), centrosymmetrically related cations undergo base pairing via a pair of N-H⋯N hydrogen bonds, forming an R(2) (2)(8) ring motif. The cations and anions inter-act via N-H⋯F hydrogen bonds, generating supra-molecular layers parallel to ([Formula: see text]20), which are in turn linked into a three-dimensional network, forming rings of R(6) (6)(24) graph-set motif. The crystal structure is further stabilized by π-π stacking inter-actions [centroid-centroid distance = 3.3361 (12) Å].

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Figures

Fig. 1.
Fig. 1.
The asymmetric unit of the title compound, showning 30% probability displacement ellipsoids. The dashed line indicate a hydrogen bond.
Fig. 2.
Fig. 2.
A view of supramolecular layers parallel to the (120) plane formed via N—H···F and N—H···N hydrogen bonds [symmetry codes: (i) x, y, 1+z; (ii) 2-x, 2-y, 1-z; (iv) -x, 1-y, 2-z].
Fig. 3.
Fig. 3.
: A view of rings propagating along the b axis formed via N—H···F hydrogen bonds [symmetry codes: (i) x, y, 1+z; (iii) -1+x, y, 1+z].

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