Synthesis and Crystal Structure of 3,3’-(2,2’-(Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(2-(4-chlorophenylamino)quinazolin-4(3H)-one)

【摘要】 The title compound 3,3’-(2,2’-(ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(2- (4-chlorophenylamino)quinazolin-4(3H)-one) 3 (C34H30Cl2N6O4, Mr = 657.54) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in space group P1 with a = 9.9185(8), b = 10.6124(9), c = 15.4064(13) , α = 92.896(2), β = 103.813(2), γ = 94.635(2)°, V = 1565.5(2) 3, Z = 2, Dc = 1.395 g/cm3, μ = 0.257 mm–1, F(000) = 684, the final R = 0.0580 and wR = 0.1284 for 3400 observed reflections (I > 2σ(I)). It remains triclinic in the crystal. Intra- and intermolecular N(3)–H(3A)…O(2), N(6)–H(6A)…O(3) and C(19)–H(19A)…O(4) #1 (#1: 1–x, 1–y, –z) hydrogen bonds are observed in the title compound. A two-dimensional chain network is formed from the dimmers and intermolecular π-π interactions in the crystal structure. This open network has solvent-accessible voids (10 3).更多还原

【Abstract】 The title compound 3,3’-(2,2’-(ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl))bis(2- (4-chlorophenylamino)quinazolin-4(3H)-one) 3 (C34H30Cl2N6O4, Mr = 657.54) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in space group P1 with a = 9.9185(8), b = 10.6124(9), c = 15.4064(13) , α = 92.896(2), β = 103.813(2), γ = 94.635(2)°, V = 1565.5(2) 3, Z = 2, Dc = 1.395 g/cm3, μ = 0.257 mm–1, F(000) = 684, the final R = 0.0580 and wR = 0.1284 for 3400 observed reflections (I > 2σ(I)). It remains triclinic in the crystal. Intra- and intermolecular N(3)–H(3A)…O(2), N(6)–H(6A)…O(3) and C(19)–H(19A)…O(4) #1 (#1: 1–x, 1–y, –z) hydrogen bonds are observed in the title compound. A two-dimensional chain network is formed from the dimmers and intermolecular π-π interactions in the crystal structure. This open network has solvent-accessible voids (10 3).更多还原