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Ethyl 5-methyl-7-phenyl-1,2,4-triazolo[4,3-a]pyrimidine-6-carboxylate
In the title compound, C(15)H(14)N(4)O(2), the triazolopyrimidine ring system is almost planar (r.m.s. deviation = 0.02 Å) and the phenyl ring is inclined to its mean plane by 42.45 (9)°. The carboxyl group is inclined to the triazolopyrimidine ring mean plane by 57.8 (3)°. In the molecule, there...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051068/ https://www.ncbi.nlm.nih.gov/pubmed/24940253 http://dx.doi.org/10.1107/S1600536814010113 |
Sumario: | In the title compound, C(15)H(14)N(4)O(2), the triazolopyrimidine ring system is almost planar (r.m.s. deviation = 0.02 Å) and the phenyl ring is inclined to its mean plane by 42.45 (9)°. The carboxyl group is inclined to the triazolopyrimidine ring mean plane by 57.8 (3)°. In the molecule, there is a short C—H⋯O contact involving the carbonyl O atom and an H atom of the adjacent methyl substituent. In the crystal, neighbouring molecules are linked by C—H⋯O hydrogen bonds, forming chains propagating along [010]. There are also weak π–π interactions present involving the pyridine and phenyl rings of neighbouring chains [intercentroid distance = 3.8580 (16) Å]. |
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