Ontology highlight
ABSTRACT:
SUBMITTER: Bassoude I
PROVIDER: S-EPMC3684917 | biostudies-literature | 2013 Jun
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20130504 Pt 6
The fused pyrazole and pyrimidine rings in the title compound, C22H19BrN4O, are almost coplanar, their planes being inclined to one another by 2.08 (13)°. The dihedral angles formed by the mean plane of the fused ring system and the phenyl and benzene rings are 16.21 (4) and 82.84 (4)°, respectively. An intra-molecular N-H⋯N hydrogen bond is observed. In the crystal, mol-ecules form inversion dimers via pairs of C-H⋯O hydrogen bonds. π-π inter-actions, with centroid-centroid distances of 3.4916 ...[more]