The title compound 7,3-dihydroxy-4-methoxyisoflavone isolated from the stems of Eremosparton songoricum was characterized by IR, 1H-NMR, 13C-NMR, H1-H1COSY, HMQC, HMBC and EIMS, and its crystal structure was determine...The title compound 7,3-dihydroxy-4-methoxyisoflavone isolated from the stems of Eremosparton songoricum was characterized by IR, 1H-NMR, 13C-NMR, H1-H1COSY, HMQC, HMBC and EIMS, and its crystal structure was determined by single-crystal X-ray diffraction with the following data: C16H12O5, monoclinic, P21/c, Z = 4, a = 9.926(8), b = 17.091(5), c = 8.001(4) , = 99.07(3) , V = 1340(1) 3, Mr = 284.26, Dc = 1.409 g/cm3, F(000) = 592, = 0.106 mm-1, R = 0.065 and wR = 0.1337 for 2084 observed reflections (I > 2.0s(I)). The molecular backbone of the compound includes a benzopyrone and a phenyl ring, and the dihedral angle between them is 50.21. The molecules form extensive networks through the intra- and intermolecular hydrogen bonds.展开更多
Supramolecular assemblies of (±)-2,2'-dihydroxy-1,1'-binaphthyl (BINOL, A), with aza donor molecules in-cluding 2,2'-bipyridine (B) and naphthodiazine (C), have been synthesized and characterized by s...Supramolecular assemblies of (±)-2,2'-dihydroxy-1,1'-binaphthyl (BINOL, A), with aza donor molecules in-cluding 2,2'-bipyridine (B) and naphthodiazine (C), have been synthesized and characterized by single-crystal X-ray diffraction methods. Two inclusion complexes crystallize in the triclinic system with P-1 space group. In the inclu-sion complex between A and B, two molecules of A and two molecules of B are linked each other by intermolecular hydrogen bonds with two molecules of water as the bridges, forming a centrosymmetric dimer with formula of A2(H2O)2B2; while in the inclusion complex between A and C, the molecule C virtually acts as a bridge to link molecules A through intermolecular O—H…N hydrogen bonds, forming a short-chain supramolecular block with a formula of A2C3. Besides the hydrogen bonding interaction between the host and guest molecules, p-p stacking interactions also play an important role in the solid-state packing of these two inclusion complexes. The structural information disclosed on the complex between dihydroxy compound and aza hydrogen bond acceptors in this work would be particularly important for the rational design of supramolecular organic functional materials.展开更多
文摘The title compound 7,3-dihydroxy-4-methoxyisoflavone isolated from the stems of Eremosparton songoricum was characterized by IR, 1H-NMR, 13C-NMR, H1-H1COSY, HMQC, HMBC and EIMS, and its crystal structure was determined by single-crystal X-ray diffraction with the following data: C16H12O5, monoclinic, P21/c, Z = 4, a = 9.926(8), b = 17.091(5), c = 8.001(4) , = 99.07(3) , V = 1340(1) 3, Mr = 284.26, Dc = 1.409 g/cm3, F(000) = 592, = 0.106 mm-1, R = 0.065 and wR = 0.1337 for 2084 observed reflections (I > 2.0s(I)). The molecular backbone of the compound includes a benzopyrone and a phenyl ring, and the dihedral angle between them is 50.21. The molecules form extensive networks through the intra- and intermolecular hydrogen bonds.
文摘Supramolecular assemblies of (±)-2,2'-dihydroxy-1,1'-binaphthyl (BINOL, A), with aza donor molecules in-cluding 2,2'-bipyridine (B) and naphthodiazine (C), have been synthesized and characterized by single-crystal X-ray diffraction methods. Two inclusion complexes crystallize in the triclinic system with P-1 space group. In the inclu-sion complex between A and B, two molecules of A and two molecules of B are linked each other by intermolecular hydrogen bonds with two molecules of water as the bridges, forming a centrosymmetric dimer with formula of A2(H2O)2B2; while in the inclusion complex between A and C, the molecule C virtually acts as a bridge to link molecules A through intermolecular O—H…N hydrogen bonds, forming a short-chain supramolecular block with a formula of A2C3. Besides the hydrogen bonding interaction between the host and guest molecules, p-p stacking interactions also play an important role in the solid-state packing of these two inclusion complexes. The structural information disclosed on the complex between dihydroxy compound and aza hydrogen bond acceptors in this work would be particularly important for the rational design of supramolecular organic functional materials.
