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报道一种新类型的有机电子晶体N-苯基邻苯二甲酰亚胺(1)(C_(14)H_9NO_2)和N-对甲苯基邻苯二甲酰亚胺(2)(C_(15)H_(11)NO_2)的晶体和分子结构,(1)属正交晶系,空间群为Pcab,a=7.649(4),b=11.659(2),c=23.739(3)A,V=2117.0A ̄3,Z=8,D_c=1.401g/cm ̄3,M_r=223.23,μ=0.885cm ̄(-1),最终偏离因子R=0.053,R_ω=0.048;(2)属正交晶系,空间群为Pna2_1,a=7.624(2),b=11.237(1),c=13.856(2)A,V=1187.0 A3,Z=4,D_c=1.328g/cm ̄3,Mr=237.26,μ=2.764cm-1,最终偏离因子R=0.036,R_ω=0.032。晶体结构测定结果表明,邻苯二甲酰亚胺的内酰亚胺碳、氮、氧原子与其苯并环共平面。化合物(2)中的甲基碳原子与取代基苯环共平面,苯并酰亚胺平面与取代苯环平面间的夹角分别为58.4°(化合物1)和56.2°(化合物2)。 相似文献
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作为有机强碱,胍类化合物可用于催化多种反应[1 5],并且反应可以在均相、无水条件下进行,不需要相转移催化剂。本文探讨用胍催化邻苯二甲酰亚胺对环氧化合物进行开环。用三光气将二乙胺转变为四乙基脲1,后者用五氯化磷和叔丁胺处理得到1,1,3,3 四乙基 2 叔丁基胍2。用2催化邻苯二甲酰亚胺与末端环氧化合物的反应,实现了环氧化合物的区域选择性开环。合成路线如下:1 实验部分1 1仪器与试剂WC 1型显微熔点仪(四川大学科仪厂),温度计未校正;Carlo ErbaModel1110自动元素分析仪,Varian400MHz核磁共振仪。溶剂和试剂经干燥、重蒸后使用… 相似文献
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1 INTRODUCTION In the context of supramolecular chemistry, mo- lecules are joined together by intermolecular interac- tions to form a supramolecule whose physical pro- perties largely depend on the orientation and packing of molecules in the crystal structures[1]. The adaman- tane is a kind of cage alkane with high symmetry and stable framework. Its derivatives are extensively applied in the fields of medicine, macromolecular materials, aviation and so on due to the unique structures and … 相似文献
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N-(5-phenylseleno)pentyl succinimide 1, C15H19NO2Se Mr = 324.27, was prepared by treating BrCH25SePh with potassium succinimide. Its crystal structure has been determined by X-ray single-crystal diffraction. The crystal of 1 belongs to monoclinic system, space group P21/c with the crystal cell parameters: a = 18.018(6), b = 5.980(2), c = 14.682(5)A, β = 109.977(6)°, V = 1486.7(9)A3, Z = 4, Dc = 1.449 g/cm3, μMoKα = 2.523 mm-1, F(000) = 664,the final R = 0.0302 and wR = 0.0666 for 2623 independent observed reflections with I>2σ(I). Structure analyses revealed that there exist strong nonclassical hydrogen bonds C-H…O. 相似文献
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在甲醇中由N-(2,4-二氯苯基)-N’-(苯甲酰基)硫脲(H2met)和CuCl2回流,合成了脱H2S的CuL2(HL=N-(苯甲酰基)-O-甲基-N’-(2,4-二氯苯基)假硫脲),其中HL由H2met脱硫得到。在室温条件下,采用缓慢挥发溶剂法培养出适合用于X射线衍射测试的单晶。由X单晶衍射确定了其晶体和分子结构,在配合物分子中,Cu(Ⅱ)与2个配体分子(HL)的N原子和2个羰基O原子发生配位,形成了2个六元螯合环[N(1A)—Cu—N(1)的键角为180.0°,O(1A)—Cu(1)—O(1)的键角为180.0°]组成的配合物。 相似文献
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The title complex Cu(L)2 [HL=N-(5-bromosalicylidene)-2-aminoethanol] was synthesized by the reaction of
Cu(CH3COO)2·H2O with N-(5-bromosalicylidene)-2-aminoethanol in the ethanol. It was characterized by elemental analysis, IR and X-ray single crystal diffraction analysis. The crystal of the title complex
[Cu(C9H9BrNO2)2] belongs to monoclinic, space group
P21/n with a=1.319 1(5) nm, b=0.444 58(16) nm, c=1.656 7(6) nm, β=91.226(5)°, V=0.971 46(6)
nm3, Z=2, Dc=1.879 Mg·m-3, μ=5.264 mm-1, F(000)=542, and final
R1=0.045 6, wR2=0.097 0. The complex comprises a four-coordinated copper(II) center, with an
N2O2 planar coordination environment. The molecules are connected by hydrogen bonds to form two-dimensional layered structure. CCDC: 274180. 相似文献
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The synthesis of the title molecule was achieved by the reaction of 2,4-dichlorobenzoyl chloride with potassium thiocyanate in 1:1 molar ratio in dry acetonitrile to afford the corresponding isothiocyante in situ followed by the treatment with 2-aminobiphenyl. The structure of the target compound was established by elemental analysis, FTIR, 1H, 13 C NMR and mass spectroscopy and unequivocally confirmed by the crystallographic data. The title compound crystallizes in the monoclinic space group P21/n with a = 13.356(2), b = 7.0761(11), c = 20.539(3) , β = 105.723(4)°, V = 1868.5(5) 3 and Z = 4. 相似文献
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The title compound, N-(2-(1H-indol-3-yl)ethyl)-2-nitroaniline(C16H15N3O2, Mr = 281.31), has been synthesized by the multicomponent reaction of milder Ullmann, and its structure was characterized by 1H NMR, 13 C NMR, IR, H RMS(ESI) and single-crystal X-ray diffraction. It crystallizes in monoclinic, space group I2/c with a = 15.0212(10), b = 9.4911(6), c = 20.3075(13) A, β = 100.776(7)o, V = 2844.1(3)A3, Z = 8, Dc = 1.314 g/cm3, F(000) = 1184.0, μ = 0.089 mm-1, the final R = 0.0574 and w R = 0.1688 for 1701 observed reflections(I 2σ(I)). X-ray analysis indicates three major N(2)–H(2)···O(2), C(13)–H(13)···O(2), N(2)–H(2)···N(3) hydrogen bonds and π-π stacking interactions in the crystal structure. The preliminary biological test shows that the title compound has a good antitumor activity against A549 in vitro with the IC50 value of 35 μmol/L. 相似文献
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Single crystal X-ray diffraction has been applied to determine the structure of salts — formate and hydrochloride of N-(benzylimidazolyl-2)-O-methylcarbamate (BMC). The crystal structure of BMC formate is built by a molecule of a base and two formic acid molecules, one of them protonating a BMC molecule. Hydrogen bonds in the crystal form a weakly bound one-dimensional ribbon. BMC hydrochloride crystallizes as dihydrate. Two molecules of crystallization water and Cl ion make a robust H-bonded two-dimensional layer. BMC salts are formed through the protonation of N9 atom. 相似文献
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近年来锑配位化合物的晶体结构已有多篇报道,并探讨了这类化合物的结构在其抗肿瘤活性中的地位。本文报道N-(β-羟乙基)乙二胺三乙酸锑的晶体结构。 结果与讨论 N-(β-羟乙基)乙二胺三乙酸锑(C_(10)H_(15)O_7N_2Sb)为无色透明棱形片状晶体,20℃时密度ρο=1.82g/cm~3,实测值(理论值):Sb 30.2(30.7),C 30.0(30.3),H 3.9(3.8),N 6.8(7.1)。 相似文献