Crystal structure of 1-(4-((benzo[d][1,3]dioxol-5-yloxy)methyl)phenethyl)-4-(3-chlorophenyl) piperazin-1-ium chloride, C₂₆H₂₈Cl₂N₂O₃

Abstract

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.

Crystal structure of 1,4-bis(2-azidoethyl)piperazine-1,4-diium dichloride, C8H18N8Cl2

“…As shown in the figure, the title structure contains one piperazine and two 2-azidoethanamine groups and has a higher energy density. Bonds lengths and angles of all moieties are in their normal ranges and excellently fit with those of related compounds [10].…”

Crystal structure of 2-(3-(2-(4-phenylpiperazin-1-yl)ethyl)benzyl)isoindoline-1,3-dione, C27H27N3O2

“…Moreover, arylpiperazine derivatives have shown significant cytotoxic activity against the tested prostate cancer cells [13]. Although some crystal structures of arylpiperazine derivatives have been reported recently [14,15], the different functional groups and organic ligands would lead to various properties of molecules. Therefore, to further study and explore the new arylpiperazine derivatives, we report the crystal structure of the title compound.…”

Crystal structure of 1-(3-chlorophenyl)-4-(4-(((2,3-dihydro-1H-inden-5-yl)oxy)methyl)phenethyl)piperazine, C28H31ClN2O

“…According to experiments of the testprostate cancer cells, arylpiperazine derivatives have displayed significant cytotoxic [14]. Although some crystal structures of arylpiperazine derivatives have been reported recently [15,16], the different functional groups and organic ligands would lead to different properties. Therefore, to further study and explore the new arylpiperazine, we report the crystal structure of the title compound.…”