Affiliations 

  • 1 School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia
Acta Crystallogr Sect E Struct Rep Online, 2012 Dec 1;68(Pt 12):o3442-3.
PMID: 23476258 DOI: 10.1107/S160053681204768X

Abstract

The benzoic acid mol-ecule of the title compound, C4H5ClN4·C7H6O2, is approximately planar, with a dihedral angle of 1.28 (9)° between the carb-oxy group and the benzene ring. In the crystal, two acid and two base mol-ecules are linked through N-H⋯O and O-H⋯N hydrogen bonds, forming a centrosymmetric 2 + 2 unit with R2(2)(8) and R4(2)(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 inter-actions.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.