Supramolecular hydrogen-bonding patterns in a 1:1 co-crystal of the N(7)—H tautomeric form of N 6-benzoyladenine with 4-hydroxybenzoic acid
نویسندگان
چکیده
The asymmetric unit of the title co-crystal, C12H9N5O·C7H6O3, contains one mol-ecule of N6-benzoyl-adenine (BA) and one mol-ecule of 4-hy-droxy-benzoic acid (HBA). The N6-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 S(7) ring motif. The primary robust R22(8) ring motif is formed in the Watson-Crick face via 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.
منابع مشابه
Supramolecular architecture in a co-crystal of the N(7)—H tautomeric form of N 6-benzoyladenine with adipic acid (1/0.5)
The asymmetric unit of the title co-crystal, C12H9N5O·0.5C6H10O4, consists of one mol-ecule of N (6)-benzoyl-adenine (BA) and one half-mol-ecule of adipic acid (AA), the other half being generated by inversion symmetry. The dihedral angle between the adenine and phenyl ring planes is 26.71 (7)°. The N (6)-benzoyl-adenine mol-ecule crystallizes in the N(7)-H tautomeric form with three non-proton...
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عنوان ژورنال:
دوره 73 شماره
صفحات -
تاریخ انتشار 2017