Crystal structure of 2-(4-fluorophenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C₁₉H₁₆ClIN₂

Abstract

C 19 H 16 ClIN 2 , monoclinic, P21/c (no. 14), a = 7.3359(11) Å, CCDC no.: 1534966The asymmetric unit of the title crystal structure is shown in the figure. Tables 1 and 2 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters. Source of materialsIodomethane (3.02 g, 0.021 mol) was added dropwise to a solution of 2-(4-chlorophenyl)-1-methyl-1H-perimidine

Crystal structure of 2-methyl-1H-perimidine, C12H10N2

“…This clearly shows that double-bonds in the pyrimidine skeleton localize at the C11-N1 bond in molecule I and C23-N3 bond in molecule II. The bond angles (9), respectively, which indicate the sp 2 state of C (11) or C(23) atom and the heterocyclic moiety is essentially planar [14][15][16]. The perimidine moiety of 2-methyl-1H-perimidine is essentially planar, the methylene C12 and C24 atoms deviate from the mean perimidine moiety plane of molecules I and II by 0.0359(12) Å and 0.0044(13) Å, respectively.…”