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Ethyl 5-methyl-7-phenyl-1,2,4-triazolo[4,3-a]pyrimidine-6-carboxyl-ate.

ABSTRACT: In the title compound, C15H14N4O2, the triazolo-pyrimidine 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 triazolo-pyrimidine ring mean plane by 57.8?(3)°. In the mol-ecule, 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 mol-ecules are linked by C-H?O hydrogen bonds, forming chains propagating along [010]. There are also weak ?-? inter-actions present involving the pyridine and phenyl rings of neighbouring chains [inter-centroid distance = 3.8580?(16)?Å].

SUBMITTER: AboulWafa OM 

PROVIDER: S-EPMC4051068 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

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Ethyl 5-methyl-7-phenyl-1,2,4-triazolo[4,3-a]pyrimidine-6-carboxyl-ate.

AboulWafa Omaima M OM   Farghaly Ahmed M AM   Teleb Mohamed M   Sinoussy Khaled S KS  

Acta crystallographica. Section E, Structure reports online 20140517 Pt 6

In the title compound, C15H14N4O2, the triazolo-pyrimidine 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 triazolo-pyrimidine ring mean plane by 57.8 (3)°. In the mol-ecule, 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 mol-ecules are linked by C-H⋯O hydrogen bonds, forming chains propagating  ...[more]

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