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. 2014 Jul 5;70(Pt 8):o857-8.
doi: 10.1107/S1600536814015220. eCollection 2014 Aug 1.

2,6-Di-amino-4-chloro-pyrimidinium 4-carb-oxy-butano-ate

Bellarmin Edison  1 , Kasthuri Balasubramani  1 , Kaliyaperumal Thanigaimani  2 , Nuridayanti Che Khalib  2 , Suhana Arshad  2 , Ibrahim Abdul Razak  2
Affiliations

2,6-Di-amino-4-chloro-pyrimidinium 4-carb-oxy-butano-ate

Bellarmin Edison et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title mol-ecular salt, C4H6ClN4 (+)·C5H7O4 (-), the cation is essentially planar, with a maximum deviation of 0.037 (1) Å for all non-H atoms. The anions are self-assembled through O-H⋯O hydrogen bonds, forming a supra-molecular zigzag chain with graph-set notation C(8). In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds with an R 2 (2)(8) ring motif. This motif further self-organizes through N-H⋯O and O-H⋯O hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notation R 3 (2)(8), R 2 (2)(8), R 4 (2)(8), R 2 (2)(8) and R 3 (2)(8). In addition, another type of R 2 (2)(8) motif is formed by inversion-related pyrimidinium cations via N-H⋯N hydrogen bonds, forming a two-dimensional network parallel to (101).

Keywords: crystal structure.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound with atom labels with 50% probability displacement ellipsoids.
Fig. 2.
Fig. 2.
Carboxyl-carboxylate interactions made up of hydrogen glutarate anion
Fig. 3.
Fig. 3.
The crystal packing of (I), showing hydrogen-bonded (dashed lines) two-dimensional networks parallel to the bc-plane. The H atoms not involved in the intermolecular interactions have been omitted for clarity.
See this image and copyright information in PMC

References

    1. Allen, F. H., Kennard, O., Watson, D. G.,Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1–19.
    1. Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555–1573.
    1. Bruker (2009). SADABS, APEX2 and SAINT Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Condon, M. E., Brady, T. E., Feist, D., Malefyt, T., Marc, P., Quakenbush, L. S., Rodaway, s. J., Shaner, D. L. & Tecle, B. (1993). Brighton Crop Protection Conference on Weeds, pp. 41–46. Alton, Hampshire, England: BCPC Publications.
    1. Gilchrist, T. L. (1997). Heterocyclic Chemistry, 3rd ed., pp. 261–276. Singapore: Addison Wesley Longman.