Inclusion compound of retinoic acid with (-cyclodextrin was prepared by coprecipitating method, the structure of resulting product was studied by elemental analysis, differential scanning caloriemetry(DSC) analysis, F...Inclusion compound of retinoic acid with (-cyclodextrin was prepared by coprecipitating method, the structure of resulting product was studied by elemental analysis, differential scanning caloriemetry(DSC) analysis, FT-IR spectroscopy and X-ray diffractometry, and the formed supramolecule self-assembles in aqueous solution according to molar ratio 2:1 of host-guest.展开更多
The 1:1photoadduct reaction of indole and 9,10-phenanthraquinone(PQ),10-hydroxy-10-(3-indolyl)-9-phenanthrenone(HIPN).forms a 1:1 inclusion complex with tetrahydrofuran (THF)·C_(22)H_(15)NO_2·C_4H_8O,M_r=397...The 1:1photoadduct reaction of indole and 9,10-phenanthraquinone(PQ),10-hydroxy-10-(3-indolyl)-9-phenanthrenone(HIPN).forms a 1:1 inclusion complex with tetrahydrofuran (THF)·C_(22)H_(15)NO_2·C_4H_8O,M_r=397.45,space group Pbn2_1,a=11.041(2),b=13.147(3),c=13.958(1),V= 2026(1),Z=4,D_x=1.30g/cm￣3,μ=0.79 cm￣(-1), F(000)=840,R=0.060,Rω=0.067.There are three main planes in the HIPN molecule,the dihedral angles between them are 16.47°,89.21° and 89.83°,respectively.The THF molecule is included through H-bond with the-OH group of HIPN,adopting a unique planar conformation.展开更多
The inclusion complex of β-cyclodextrin with m-nitrophenoxyacetic acid was studied by single crystal X-ray diffraction,2D NMR spectroscopy and semi-empirical methods AMI.The crystallographic study shows that two β-c...The inclusion complex of β-cyclodextrin with m-nitrophenoxyacetic acid was studied by single crystal X-ray diffraction,2D NMR spectroscopy and semi-empirical methods AMI.The crystallographic study shows that two β-cyclodextrins are held together by hydrogen bonds to form head-to-head dimers.The disordered guest molecule adjusts itself to attain the most stable accommodation into the cavity in which the nitro group is located at the dimer interface while the carboxyl group is buried in the primary hydroxyl groups of β-cyclodextrin.The guest inside the cavity is disordered over two sites and exhibits mobility.Moreover,2D NMR spectroscopy and theoretical study show the same inclusion behavior.In comparison to the inclusion complex of β-cyclodextrin with p-nitrophenoxyacetic acid,the host-guest stoichiometries are different,i.e.,2：1 for m-nitrophenoxyacetic acid and 1：1 for p-nitrophenoxyacetic acid,while the inclusion orientation and the packing pattern of the host are similar in both complexes.展开更多
文摘Inclusion compound of retinoic acid with (-cyclodextrin was prepared by coprecipitating method, the structure of resulting product was studied by elemental analysis, differential scanning caloriemetry(DSC) analysis, FT-IR spectroscopy and X-ray diffractometry, and the formed supramolecule self-assembles in aqueous solution according to molar ratio 2:1 of host-guest.
文摘The 1:1photoadduct reaction of indole and 9,10-phenanthraquinone(PQ),10-hydroxy-10-(3-indolyl)-9-phenanthrenone(HIPN).forms a 1:1 inclusion complex with tetrahydrofuran (THF)·C_(22)H_(15)NO_2·C_4H_8O,M_r=397.45,space group Pbn2_1,a=11.041(2),b=13.147(3),c=13.958(1),V= 2026(1),Z=4,D_x=1.30g/cm￣3,μ=0.79 cm￣(-1), F(000)=840,R=0.060,Rω=0.067.There are three main planes in the HIPN molecule,the dihedral angles between them are 16.47°,89.21° and 89.83°,respectively.The THF molecule is included through H-bond with the-OH group of HIPN,adopting a unique planar conformation.
文摘The inclusion complex of β-cyclodextrin with m-nitrophenoxyacetic acid was studied by single crystal X-ray diffraction,2D NMR spectroscopy and semi-empirical methods AMI.The crystallographic study shows that two β-cyclodextrins are held together by hydrogen bonds to form head-to-head dimers.The disordered guest molecule adjusts itself to attain the most stable accommodation into the cavity in which the nitro group is located at the dimer interface while the carboxyl group is buried in the primary hydroxyl groups of β-cyclodextrin.The guest inside the cavity is disordered over two sites and exhibits mobility.Moreover,2D NMR spectroscopy and theoretical study show the same inclusion behavior.In comparison to the inclusion complex of β-cyclodextrin with p-nitrophenoxyacetic acid,the host-guest stoichiometries are different,i.e.,2：1 for m-nitrophenoxyacetic acid and 1：1 for p-nitrophenoxyacetic acid,while the inclusion orientation and the packing pattern of the host are similar in both complexes.
