The crystal structure of the title compound C16H18NO2+·C7H7SO3-·2H2O, (C23H29NSO7, Mr=463.53) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system wi...The crystal structure of the title compound C16H18NO2+·C7H7SO3-·2H2O, (C23H29NSO7, Mr=463.53) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system with space group P21/n, a=8.101(1), b=8.958(2), c=33.281(5)?,β= 94.910(1)(, V=2406.3(7)?3, Z=4, Dc=1.279g/cm3, μ=0.176mm-1, F(000)=984, final R=0.0409, and Rw=0.0860 for 4401 independent reflections. The result shows that in the crystal structure of the title compound the planar cations have two configurations with equal occupation ratio and are antiparally packed through π…π interactions. Similar packing energies in A and B are probably the main factor that leads to the disorder structure.展开更多
文摘The crystal structure of the title compound C16H18NO2+·C7H7SO3-·2H2O, (C23H29NSO7, Mr=463.53) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system with space group P21/n, a=8.101(1), b=8.958(2), c=33.281(5)?,β= 94.910(1)(, V=2406.3(7)?3, Z=4, Dc=1.279g/cm3, μ=0.176mm-1, F(000)=984, final R=0.0409, and Rw=0.0860 for 4401 independent reflections. The result shows that in the crystal structure of the title compound the planar cations have two configurations with equal occupation ratio and are antiparally packed through π…π interactions. Similar packing energies in A and B are probably the main factor that leads to the disorder structure.
