Ontology highlight
ABSTRACT:
SUBMITTER: Chen Y
PROVIDER: S-EPMC2960697 | biostudies-literature | 2008 Aug
REPOSITORIES: biostudies-literature
Acta crystallographica. Section E, Structure reports online 20080830 Pt 9
The title compound, C(17)H(18)N(6)O(2)·0.5CH(3)OH, exists in the double keto form and adopts a highly puckered geometry, stabilized by intra-molecular N-H⋯O and N-H⋯N hydrogen bonds. Inter-molecular N-H⋯N hydrogen bonds and π-π stacking inter-actions [centroid-centroid separation = 3.654 (1) Å] assemble the mol-ecules into chains running in the [111] direction. The methanol solvent mol-ecule is disordered over two sites related by inversion and forms a bifurcated O-H⋯(N,O) hydrogen bond. ...[more]