摘要
4, 4'-Diaminodiphenylsulfone (DAPS) (NH2C6H4)2SO2, Mr= 248. 3, orthorhombic, space group P212121, a = 8. 057(2), b = 25. 554(6), c = 5. 759(2)(?), V = 1185. 7(6)(?)3, Z = 4, Dc=1. 39g/cm, λ(MoKa) = 0. 71069(?) , μ= 2. 51cm-1, F (000) = 520, T = 296K, R = 0. 044 for 1022 observed reflections (I >3σ(I)). In the crystal there is one intermolecular hydrogen bond O(2)a…H(10)b- N(1)b between molecule (a) and (b), with Oa…Nbdistance of 2. 86(?) and Oa…Hb- N(1)b angle of 161. 7°, which is formed between the - NH2 group of molecule (b) and the atom. O(2) of the molecule (a). A large dihefral angle (78. 31°) exists between the two phenyl planes. Its SHG efficiency of crystalline powders is about 2. 5×KDP and the cut-off wavelength is 335nm in 0. 1mM ethanol solution.
4, 4'-Diaminodiphenylsulfone (DAPS) (NH2C6H4)2SO2, Mr= 248. 3, orthorhombic, space group P212121, a = 8. 057(2), b = 25. 554(6), c = 5. 759(2)(?), V = 1185. 7(6)(?)3, Z = 4, Dc=1. 39g/cm, λ(MoKa) = 0. 71069(?) , μ= 2. 51cm-1, F (000) = 520, T = 296K, R = 0. 044 for 1022 observed reflections (I >3σ(I)). In the crystal there is one intermolecular hydrogen bond O(2)a…H(10)b- N(1)b between molecule (a) and (b), with Oa…Nbdistance of 2. 86(?) and Oa…Hb- N(1)b angle of 161. 7°, which is formed between the - NH2 group of molecule (b) and the atom. O(2) of the molecule (a). A large dihefral angle (78. 31°) exists between the two phenyl planes. Its SHG efficiency of crystalline powders is about 2. 5×KDP and the cut-off wavelength is 335nm in 0. 1mM ethanol solution.
