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-H...O and O-H...N 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-H...N 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.


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