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5-(4-Chlorophenoxy)-6-isopropyl-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
In the title compound, C(19)H(16)ClN(5)O(2), the triazolopyrimidine ring system is essentially planar, with a maximum displacement of 0.021 (4) Å, and forms dihedral angles of 1.09 (9) and 87.74 (9)° with the phenyl and benzene rings, respectively. Short intramolecular C—H⋯O and C—H⋯N hydrogen-bond...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970466/ https://www.ncbi.nlm.nih.gov/pubmed/21578020 http://dx.doi.org/10.1107/S160053680903788X |
Sumario: | In the title compound, C(19)H(16)ClN(5)O(2), the triazolopyrimidine ring system is essentially planar, with a maximum displacement of 0.021 (4) Å, and forms dihedral angles of 1.09 (9) and 87.74 (9)° with the phenyl and benzene rings, respectively. Short intramolecular C—H⋯O and C—H⋯N hydrogen-bonding interactions occur within the molecule. In the crystal structure, molecules are linked by intermolecular C—H⋯O hydrogen bonds into chains parallel to the b axis. In addition, π–π stacking interactions involving the triazole and pyrimidine rings of adjacent molecules are observed, with centroid–centroid distances of 3.600 (3) Å. |
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