Cargando…
7-(4-Methoxyphenyl)-5-methyl-9-phenyl-7H-pyrrolo[2′,3′:4,5]pyrimido[1,6-d]tetrazole
The title compound, C(20)H(16)N(6)O, is composed of a tetrazolo ring and a 4-methoxyphenyl and a benzene-substituted pyrrole ring at the 7 and 9 positions fused to a pyrimidine ring in a nearly planar fashion [maximum deviation of 0.018 (1) Å for the fused ring system]. A methyl group at the 5 pos...
Autores principales: | , , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980237/ https://www.ncbi.nlm.nih.gov/pubmed/21580097 http://dx.doi.org/10.1107/S1600536809053653 |
Sumario: | The title compound, C(20)H(16)N(6)O, is composed of a tetrazolo ring and a 4-methoxyphenyl and a benzene-substituted pyrrole ring at the 7 and 9 positions fused to a pyrimidine ring in a nearly planar fashion [maximum deviation of 0.018 (1) Å for the fused ring system]. A methyl group at the 5 position is also in the plane of the hetero cyclic system. The dihedral angle between the mean planes of the benzene and 4-methoxyphenyl rings is 40.4 (2)°. The dihedral angles between the mean planes of the pyrimidine and the benzene and 4-methoxyphenyl rings are 15.6 (5)° and 52.6 (7)°, respectively. A weak intramolecular C—H⋯N hydrogen bond interaction, which forms an S(7) graph-set motif, helps to establish the relative conformations of the tetrazolo and benzene rings. In the crystal, weak intermolecular C—H⋯O, C—H⋯π and π–π stacking interactions [centroid–centroid distances = 3.5270 (16), 3.5113 (16), 3.7275 (17) and 3.7866 (17) Å] link the molecules into a two-dimensional array obliquely parallel to (101) and propagating along the b axis. |
---|