Swinton Darious Robert, Thomas Muthiah Packianathan, Perdih Franc
School of Chemistry, Bharathidasan University, Tiruchirappalli 620 024, Tamilnadu, India.
Faculty of Chemistry and Chemical Technology, University of Ljubljana, Večna pot 113, PO Box 537, SI-1000 Ljubljana, Slovenia.
Acta Crystallogr E Crystallogr Commun. 2017 Feb 17;73(Pt 3):383-386. doi: 10.1107/S2056989017002171. eCollection 2017 Mar 1.
The asymmetric unit of the title co-crystal, CHNO·CHO, contains one mol-ecule of -benzoyl-adenine (BA) and one mol-ecule of 4-hy-droxy-benzoic acid (HBA). The -benzoyl-adenine (BA) has an N(7)-H tautomeric form with nonprotonated N-1 and N-3 atoms. This tautomeric form is stabilized by a typical intra-molecular N-H⋯O hydrogen bond between the carbonyl (C=O) group and the N(7)-H hydrogen on the Hoogsteen face of the purine ring, forming a graph-set (7) ring motif. The primary robust (8) ring motif is formed in the Watson-Crick face N-H⋯O and O-H⋯N hydrogen bonds (involving N1, N6-H and the carboxyl group of HBA). Weak inter-actions, such as, C-H⋯π and π-π are also observed in this crystal structure.
