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

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.....

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Bibliographic Details
Main Authors: Kaliyaperumal Thanigaimani, Nuridayanti Che Khalib, Suhana Arshad, Ibrahim Abdul Razak
Format: Article
Language:English
Published: International Union of Crystallography 2012-12-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S160053681204768X
Description
Summary: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 π–π [centroid–centroid distance = 3.5984 (11) Å] and C—H...π interactions.
ISSN:1600-5368