C 26 H 28 Cl 2 N 2 O 3 , monoclinic, P2 1 /c (no. 14), a = 13.422(3) Å, b = 7.0011(14) Å, c = 26.249(5) Å, β = 101.06(3)°, V = 2420.8(9) Å 3 , Z = 4, R gt (F) = 0. The crystal structure is shown in the figure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters. CN, 10 mL) was added 1-(3-chlorophenyl)piperazine (1.2 equiv) and potassium carbonate (6.0 equiv). The reaction mixture was stirred at reflux for 16 h. After cooling to ambient temperature, the reaction mixture was filtered through a Büchner funnel. After filtration the filtrate was concentrated in vacuo and the residue was purified by silica gel column chromatography using ethyl acetate/petroleum ether (1/5, v/v) as eluent to afford the product, and the title compound was recrystallized from trichloromethane and n-hexane [3].
Experimental detailsThe hydrogen atoms were assigned with isotropic displacement factors U iso (H) = 1.2U eq (N and imidazol C), or U iso (H) = 1.5U eq (methyl C) and included in the final refinements by using geometrical restraints, with C-H = 0.93 Å (imidazol) or C-H = 0.96 Å (methyl), and N-H = 0.86 Å.
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