Abstract
Three organic adducts of N6-benzyladenine have been prepared with trichloroacetic acid, 3-nitrophthalic acid, and citric acid. The three crystalline complexes were characterized by X-ray diffraction analysis, IR, mp, and elemental analysis. Compound 1 crystallizes in the triclinic, space group P-1, with a = 5.4634(4) A, b = 9.7180(7) A, c = 15.9707(12) A, α = 84.2100(10)°, β = 86.633(2)°, γ = 78.0640(10)°, V = 824.75(10) A3, Z = 2. Compound 2 crystallizes in the triclinic, space group P-1, with a = 7.4065(7) A, b = 8.1151(8) A, c = 18.4782(15) A, α = 95.3190(10)°, β = 90.7750(10)°, γ = 115.063(2)°, V = 1000.00(16) A3, Z = 2. Compound 3 crystallizes in the triclinic, space group P-1, with a = 5.0883(5) A, b = 13.0295(11) A, c = 16.4332(14) A, α = 69.1550(10)°, β = 83.900(3)°, γ = 79.244(2)°, V = 999.35(15) A3, Z = 2. In 1, the N9 atom was protonated, thus 1 is a salt. For 2 and 3, all carboxyl groups remain protonated, so 2 and 3 are both cocrystal. These structures adopted homo or hetero supramolecular synthons or both. Analysis of the crystal packing of 1–3 displays that there are O–H···O, O–H···N, N–H···O, and N–H···N hydrogen bonds as well as C–H···O, CH2···O, C–H···Cl, O–O, O–N, Cl···N, Cl···O, Cl···π, CH2···π, and π···π interactions, giving 2D/3D framework structures. The crystal structures of the N6-benzyladenine adducts with trichloroacetic acid, 3-nitrophthalic acid, and citric acid show extensive classical hydrogen bonding as well as C–H···O, CH2···O, C–H···Cl, O–O, O–N, Cl···N, Cl···O, Cl···π, CH2···π, and π···π interactions, giving 2D/3D framework structures.
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