Synthesis and crystal structures of the derivatives of butyrate and 1,3-dioxane; Allyl 2-acetyl-3-(phenylamino)butanoate, 2,6-dimethyl N-(4-methylphenyl)-1,3-dioxan-4-amine and N-(3,5-Diflourophenyl)-2,6-dimethyl-1, 3-dioxan-4-amine

摘要

Butyrate derivatives of allyl 2-acetyl-3-(phenylamino)butanoate (1) and 1,3-dioxane derivatives of 2,6-dimethyl N-(4-methylphenyl)-1,3-dioxan-4-amine (2) and N-(3,5-diflourophenyl)-2,6-dimethyl-1,3-dioxan-4-amine (3) were synthesised. Their structures were characterized by FTIR (1) ~1H NMR, ~(13)C NMR spectroscopic techniques and single crystal X-ray diffraction. The compound (1) crystallizes in the triclinic crystal system with the space group p-1 with a = 10.0874(5) ?, b = 10.1751(5) ?, c = 14.1930(8) ?, α = 82.429(4), β = 77.482(4), γ = 80.820(4), v = 1396.77(13) ?~3. The compound (2) crystallizes in the monoclinic space group P2_(1/C) with unit cell dimensions a = 9.8454(3) ?, b = 13.3032(4) ?, c = 10.1967(3) ?, α = 90, β = 114.821(2), γ = 90, v = 1212.15(6) ?~3. The compound (3) crystallizes in the triclinic space group p-1 with unit cell dimensions a = 9.65630(10) ?, b = 11.2266(2) ?, c = 11.2658(2) ?, α = 83.7710(10), β = 79.1770(10), γ = 77.1290(10), v = 1166.59(3) ?~3. Graphical Abstract: In the crystal packing of all the three crystal structures, the molecules are linked together by hydrogen bonds to form dimers. [Figure not available: see fulltext.]