Abstract
The organic molecule of the title compound, C16H12N6O2·2H2O, lies across a crystallographic inversion centre. The dihedral angle between the pyrimidine and benzene rings is 80.78 (6)°. The two pyrimidine rings are parallel by virtue of the centre of symmetry. The pyrimidine and benzene rings form dihedral angles of 41.41 (7) and 40.26 (7)°, respectively, with the amide plane. The molecules are linked by N—H⋯N and C—H⋯N hydrogen bonds into a two-dimensional network parallel to the (11) plane. O—H⋯O and C—H⋯O hydrogen bonds involving the water molecules link the adjacent layers into a three-dimensional network. In addition, a C—H⋯π interaction involving the benzene ring is observed.
Highlights
The organic molecule of the title compound, C16H12N6O22H2O, lies across a crystallographic inversion centre
The two pyrimidine rings are parallel by virtue of the centre of symmetry
The molecules are linked by N—H N
Summary
Jana,c Anita Hazrac and Shyamaprosad Goswamic a Department of Chemistry, Faculty of Science, Prince of Songkla University, Hat-Yai, Songkhla 90112, Thailand, bX-ray Crystallography Unit, School of Physics, Universiti. Sains Malaysia, 11800 USM, Penang, Malaysia, and cDepartment of Chemistry, Bengal Engineering and Science University, Shibpur, Howrah 711 103, India. The dihedral angle between the pyrimidine and benzene rings is. The two pyrimidine rings are parallel by virtue of the centre of symmetry. The pyrimidine and benzene rings form dihedral angles of 41.41 (7) and 40.26 (7) , respectively, with the amide plane. The molecules are linked by N—H N and C—H N hydrogen bonds into a two-dimensional network parallel to the (111) plane. H O hydrogen bonds involving the water molecules link the adjacent layers into a three-dimensional network. A C—H interaction involving the benzene ring is observed
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