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The title compound E,E-1,4-bis[4'-(N,N-di-n-butylamino)styryl]-2,5-dimen- thoxybenzene (abbreviated to DBMB) has been synthesized by the wittig reaction of [(2,5- dimethoxy-1,4-phenylene)]bis(methylene)]bistriphenylphosphonium dichloride with 4-(N,N-di-n- butylamino)benzaldehyde. Its crystal structure was determined by a four-circle diffractometer. Crystal data: C40H56N2O2, Mr = 596.87, triclinic, space group P, a = 0.9303(2), b = 0.9625(2), c = 1.0442(2) nm, α = 81.493(12), β = 78.387(12), γ = 87.876(11)°, V = 0.9057(4) nm3, Z = 1, Dc = 1.094 g/cm3, F(000) = 326, μ(MoKa) = 0.066 mm-1, the final R = 0.0925 and wR = 0.2092. The results reveal that the molecule is a completely reverse structure with fine symmetry and a conju- gated system. 相似文献
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The title compound N-(7-chloro-5-ethoxy-2H-[1,2,4]thiadiazolo[2,3-a]pyrimidin- 2-ylidene)- 2-(2,4-dichlorophenoxy)propanamide 3 has been synthesized through using bromine as cyclic reagent in 63% isolated yield. Suitable single crystals for X-ray diffraction were obtained by recrystallization from the mixture solvents at room temperature. Crystallographic data of 3: C16H13- Cl3O3S, Mr = 447.71, triclinic, space group P, a = 8.7461(8), b = 9.9560(10), c = 11.8572(11) , α = 94.341(2), β = 94.683(2), γ = 112.929(2)o, Z = 2, V = 941.21(15) 3, Dc = 1.580 g/cm3, F(000) = 456, R = 0.0794, wR = 0.2056 and μ(MoKα) = 0.623 mm-1. The title compound 3 was found to be effective in herbicidal activity. 相似文献
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Two new transition metal complexes, [Ni(bipy)2Cl]·ClO4 (bipy = 2,2'-bipyridine) 1 and [Zn(bipy)2Cl]·BF4 2, have been synthesized and characterized by single-crystal X-ray diffraction analysis. Both 1 and 2 crystallize in monoclinic space group P21/n with Z = 4. For 1, a = 10.776(1), b = 12.067(1), c = 16.146(2)(A), β= 93.021(2)o, V = 2031.9(4)(A)3, Mr = 505.98, Dc = 1.654 g/cm3, μ = 1.255 mm-1, F(000) = 1032, the final R = 0.0406 and wR = 0.1002 for 3983 observed reflections with Ⅰ > 2σ(I). For 2, a = 10.758(4), b = 12.058(4), c = 16.135(5) (A), β = 104.57(1)o, V = 2025.7(12) (A)3, Mr = 500.00, Dc = 1.639 g/cm3, μ = 1.396 mm-1, F(000) = 1008, the final R = 0.0470 and wR = 0.1237 for 3759 observed reflections with Ⅰ > 2σ(I). The crystal structures of 1 and 2 are isostructural with very similar supramolecular structures. A one-dimen- sional zigzag double hydrogen-bonding-chain is generated by the intermolecular M-bipy …anion…bipy--M hydrogen bonding interactions between the chelating ligands of bipy and anion. 相似文献
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WANG Jian-Ping FU Yong-Ju WANG Jian-Ge QIN Jian-Hua CHEN Qing-Hua 《结构化学》2007,26(5):515-518
A novel morpholine derivative was synthesized by Michael addition/internal nucleophilic substitution of 4-(L)-menthyloxy(1R,2S,5R)-butenolide with phenyl-glyalcohol under mild condition, and its structure was determined by X-ray diffraction. The target compound belongs to orthorhombic, space group P212121 with a = 5.7729(7), b = 11.5032(14), c = 25.161(3) , Mr = 319.35, Z = 4, V = 1670.8(4) 3, Dc = 1.270 g/cm3, μ(MoKα) = 0.094 mm-1, F(000) = 680, Flack = 0.01(2), R = 0.0398 and wR = 0.0914. 相似文献
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A metal-organic coordination compound formulated as [Cd(MDPPz)(BDC)(H2O)]n 1 (MDPPz = 11-methyldipyrido[3,2-a:2',3'-c]phenazine, BDC = 1,4-benzenedicarboxylate) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, fluorescence spectrum and single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic system, space group C2/c, with a = 30.673(8), b = 9.623(3), c = 20.784(6) (A), β = 98.646(3)o, V = 6065(3) (A)3, C27H17CdN4O5, Mr = 589.85, Dc = 1.292 g/cm3, μ(MoKα) = 0.757 mm(1, F(000) = 2360, Z = 8, the final R = 0.0381 and wR = 0.0855 for 4191 observed reflections (I>2σ(I)). 1 exhibits blue fluorescence property at room temperature. 相似文献
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1-Phenyl-1,3-butandione benzidine diketoimine 2a (C32H28N2O2,Mr=472.56) was synthesized in high yield by the reaction of 1-phenyl-1,3-butandione with benzidine in absolute ethanol,and determined by X-ray structure analysis. It crystallizes in the orthorhombic system,space group P21/c with a=7.9839(16),b=12.910(3),c=12.358(3),α=90.00,β=93.71(3),γ= 90.00°,V=1271.1(4)3,Z=2,Dc=1.235 g/cm3,μ=0.077 mm-1,F(000)=500,the final R= 0.0717 and wR=0.1187. It presents a linear centrosymmetric framework constituted by a linkage of benzidine as a bridge and two terminal 1-phenyl-1,3-butanedione moieties. 相似文献