Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)

organic compounds

is5218 scheme

Acta Cryst. (2012). E68, o3442-o3443 [ doi:10.1107/S160053681204768X ]

2,6-Diamino-4-chloropyrimidine-benzoic acid (1/1)

K. Thanigaimani, N. C. Khalib, S. Arshad and I. A. Razak

Abstract: The benzoic acid molecule of the title compound, C₄H₅ClN₄·C₇H₆O₂, is approximately planar, with a dihedral angle of 1.28 (9)° between the carboxy group and the benzene ring. In the crystal, two acid and two base molecules are linked through N-HO and O-HN hydrogen bonds, forming a centrosymmetric 2 + 2 unit with R₂²(8) and R₄²(8) motifs. These units are further linked through a pair of N-HN hydrogen bonds into a tape structure along [1-20]. The crystal structure also features weak [pi] - [pi] [centroid-centroid distance = 3.5984 (11) Å] and C-H [pi] interactions.


	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S160053681204768X/is5218sup0.html ] Supplementary materials

	Chemical Markup Language (CML) file (4.6 kbytes) [ doi:10.1107/S160053681204768X/is5218Isup3.cml ] Supplementary material

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