1-Ethyl-5-(4-methoxybenzoyl)-4-(4-methoxyphenyl)pyrimidine-2(1H)-thione

Abstract

Key indicatorsSingle-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.048 wR factor = 0.097 Data-to-parameter ratio = 10.8For details of how these key indicators were automatically derived from the article, see

Crystal and molecular structure of 1‐allyl‐5‐(4‐methylbenzoyl)‐4‐(4‐methylphenyl)pyrimidine‐2(1H)‐thione

“…The authenticity of the compound has been established by UV, IR, NMR, GC/MS, X-ray and elemental analysis techniques. The results of measurements which are in good agreement with a similar finding with substituted pyrimidine-2-thione derivatives [16][17][18] were given here. The title compound characterized can be essential in medicinal and biological applications.…”

Structure of 5-benzoyl-4-phenyl-2-chloropyrimidine studied by X-ray diffraction, DFT calculations, NMR and FT-IR spectra

“…The C-H proton in the pyrimidine ring appears at 8.73 ppm, while this signal is observed computationally at 8.60 and 8.72 ppm for two basis sets, respectively. This CAH proton in pyrimidine ring is shown a little different with literature values of 8.16 [40] and 8.08 [41] ppm. There is no significant difference between literature values and other 1 H chemical shifts of the title compound.…”