The title compound, 4-salicylimine-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole, was obtained by the condensation reaction of 4-amino-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole with salicylaldehyde in methanol. The crys...The title compound, 4-salicylimine-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole, was obtained by the condensation reaction of 4-amino-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole with salicylaldehyde in methanol. The crystal structure (C21H16N4O3, Mr = 372.38) belongs to monoclinic system, space group P21/n with a = 10.507(2), b = 16.878(3), c = 11.199(2) ? = 110.86(3), V = 1855.9(6) ?, Z = 4, Dc = 1.333 g/cm3, F(000) = 776, (MoK? = 0.092 mm-1, R = 0.0552 and wR = 0.1095 for 1920 reflections ( I > 2.0(I) ). The analytical results of crystal structure show that there are two different non-covalent interactions in the compound. One is hydrogen bond, and the other p-p stacking interaction. These two types of non-covalent interactions play an important role in the packing of crystal.展开更多
The title compound 2,5-dimorpholinyl-3,4-di(p-chlorophenyl)thiophene (C24H24Cl2N2O2S, Mr=475.41) was obtained by the reaction of a-(p-chlorothiobenzoyl)- thioformmorpholine with trimethyl phosphite. The crystal is tri...The title compound 2,5-dimorpholinyl-3,4-di(p-chlorophenyl)thiophene (C24H24Cl2N2O2S, Mr=475.41) was obtained by the reaction of a-(p-chlorothiobenzoyl)- thioformmorpholine with trimethyl phosphite. The crystal is triclinic, space group Pī, with unit cell constants a=6.074(1), b=10.325(1), c=19.779(2)? a=76.74(1), b=87.11(1), g=74.92(1), Z=2, V=1165.7(3)?, Dc=1.354g穋m-3, m (MoKa)=0.392mm-1, F(000)=496, R=0.0324, Rw=0.0458 for 3102 observed reflections(I>2s(I)). X-ray analysis reveals that interatomic distances for C(7)C(19) and C(8)C(20) are 1.368(2) and 1.365(2)? respectively, which shows that they are C=C double bonds. The atoms of C(7), C(8), C(19), C(20) and S form a thiophene ring and the morpholine adopts chair conformation.展开更多
A new ligand 1,4-bis(2-hydroxymethylphenyl)-1,4-dioxabutane was synthesized by reducing 1,4-bis(2-formylphenyl)-1,4-dioxabutane with NaBH4 in absolute methanol solution. The crystal structure of the title compound C16...A new ligand 1,4-bis(2-hydroxymethylphenyl)-1,4-dioxabutane was synthesized by reducing 1,4-bis(2-formylphenyl)-1,4-dioxabutane with NaBH4 in absolute methanol solution. The crystal structure of the title compound C16H18O4 has been determined by single-crystal X-ray diffraction. The ligand crystallizes in the orthorhombic system, space group Pbcn with a = 13.777(1), b = 11.731(1), c = 9.076(8) ? V = 1466.8(2) ?, Mr = 274.30, Z = 4, F(000) = 548, Dc = 1.24 g/cm3, T = 293 K, m = 8.9 cm-1 and l = 0.71073 ? The structure was refined to R = 0.0324 and wR = 0.1025 for 1112 observed reflections with I > 2s(I). The two benzene rings are not on the same plane, and the dihedral angle between them is 60.6? The ligand has C2 symmetry axis which passes through the center of C(8)C(8a). The molecules are linked to each other by hydrogen bonding network to form supramolecular chain. The ligands connect to each other through the hydrogen bonds to form one-dimensional chains which further connect through the hydrogen bonds to form two- and three-dimensional structures.展开更多
文摘The title compound, 4-salicylimine-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole, was obtained by the condensation reaction of 4-amino-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole with salicylaldehyde in methanol. The crystal structure (C21H16N4O3, Mr = 372.38) belongs to monoclinic system, space group P21/n with a = 10.507(2), b = 16.878(3), c = 11.199(2) ? = 110.86(3), V = 1855.9(6) ?, Z = 4, Dc = 1.333 g/cm3, F(000) = 776, (MoK? = 0.092 mm-1, R = 0.0552 and wR = 0.1095 for 1920 reflections ( I > 2.0(I) ). The analytical results of crystal structure show that there are two different non-covalent interactions in the compound. One is hydrogen bond, and the other p-p stacking interaction. These two types of non-covalent interactions play an important role in the packing of crystal.
文摘The title compound 2,5-dimorpholinyl-3,4-di(p-chlorophenyl)thiophene (C24H24Cl2N2O2S, Mr=475.41) was obtained by the reaction of a-(p-chlorothiobenzoyl)- thioformmorpholine with trimethyl phosphite. The crystal is triclinic, space group Pī, with unit cell constants a=6.074(1), b=10.325(1), c=19.779(2)? a=76.74(1), b=87.11(1), g=74.92(1), Z=2, V=1165.7(3)?, Dc=1.354g穋m-3, m (MoKa)=0.392mm-1, F(000)=496, R=0.0324, Rw=0.0458 for 3102 observed reflections(I>2s(I)). X-ray analysis reveals that interatomic distances for C(7)C(19) and C(8)C(20) are 1.368(2) and 1.365(2)? respectively, which shows that they are C=C double bonds. The atoms of C(7), C(8), C(19), C(20) and S form a thiophene ring and the morpholine adopts chair conformation.
基金The project was supported by the state key laboratory of Suzhou University and the foundation of Science Committee of Jiangsu Province
文摘A new ligand 1,4-bis(2-hydroxymethylphenyl)-1,4-dioxabutane was synthesized by reducing 1,4-bis(2-formylphenyl)-1,4-dioxabutane with NaBH4 in absolute methanol solution. The crystal structure of the title compound C16H18O4 has been determined by single-crystal X-ray diffraction. The ligand crystallizes in the orthorhombic system, space group Pbcn with a = 13.777(1), b = 11.731(1), c = 9.076(8) ? V = 1466.8(2) ?, Mr = 274.30, Z = 4, F(000) = 548, Dc = 1.24 g/cm3, T = 293 K, m = 8.9 cm-1 and l = 0.71073 ? The structure was refined to R = 0.0324 and wR = 0.1025 for 1112 observed reflections with I > 2s(I). The two benzene rings are not on the same plane, and the dihedral angle between them is 60.6? The ligand has C2 symmetry axis which passes through the center of C(8)C(8a). The molecules are linked to each other by hydrogen bonding network to form supramolecular chain. The ligands connect to each other through the hydrogen bonds to form one-dimensional chains which further connect through the hydrogen bonds to form two- and three-dimensional structures.
