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1.
1INTRODUCTIONManypyrazolederivativeshavebeenreportedtoshowvariousbiologicalactivitiestobeusedasbactericide[1],fungicide[2],herbicide[3],insecticide[4]andvirucide[5]agents.Inaddition,4-thiazolidinoneplaysavitalroleowingtoitswiderangeofbiologi-calactivities… 相似文献
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LI Xun XU Wen-Fang ② 《结构化学》2005,24(6):706-710
1 INTRODUCTION Aminopeptidase N (APN), a member of mem- brane-bound zinc-dependent exopeptidase, is known to be high expression on the brush border membran- es of the small intestine and renal proximal tubules[1]. The over-expression of APN has been involved in several pathological conditions including cancer[2], leukemia, diabetic nephropathy[3], rheumatoid arth- ritis[4], angiogenesis[5] and central nervous system di- seases, such as Alzheimer’s disease[6]. This has led to the sear… 相似文献
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The title compound, ethyl 5-amino-1-[(5'-methyl-1'-t-butyl-4'-pyrazolyl)carbonyl] -3-methylthio-1H-pyrazole-4-carboxylate 5, has been synthesized by the treatment of 4 with ethyl 2-cyano-3,3-dimethylthioacrylate, and its crystal structure was determined by X-ray diffraction method. The crystal belongs to monoclinic, space group P21/c with a = 12.194(4), b = 12.909(4), c = 11.607(4) (A), β= 90.183(5)°, V = 1827.2(10) (A)3, Mr = 365.45, Z = 4, Dc = 1.328 g/cm3, μ = 0.203 mm-1, F(000) = 776, R = 0.0586 and wR = 0.1558. Preliminary bioassays indicated that the title compound shows fungicidal and plant growth regulation activities. 相似文献
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1INTRODUCTION Isoxazole derivatives are an important class of heterocycles as intermediates for natural product synthesis and building blocks for constructing new molecular systems[1,2].In addition,isoxazole deriva-tives have been long targeted in synthetic inves-tigation for their known biological activities and pharmacological properties such as hypoglycemic,analgesic,anti-inflammatory and anti-bacterial acti-vities[3~6].Therefore,the isoxazolines and isoxazoles with phosphonate group ar… 相似文献
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The crystal structure of 1-[(1'-phenyl-5'-methyl-4'-pyrazolcarbonyl)]-3-methyl thio-5-amino-1H-yl-1,2,4-triazole (C14H14N6OS, Mr = 314.37) has been determined by single-crystal X-ray diffraction analysis. The crystal belongs to triclinic, space group P with a = 8.026(3), b = 8.651(4), c = 11.369(5) (A), α = 89.917(7), β= 89.084(7), γ = 68.470(6)°, V = 734.2(5) (A)3, Z = 2, Dc = 1.422 g/cm3, ( = 0.232 mm-1, F(000) = 328, R = 0.0376 and wR = 0.0890 for 2950 unique reflections. The crystal structure shows the presence of a dimmer with intermolecular N(4)-H(4)…N(3A) hydrogen bonds. 相似文献
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LIN Qiu-Lian ZHONG Ping LUO Yi 《结构化学》2008,27(7):836-840
The crystal structure of 1-(2,6-dichloro-4-nitrophenyl)-5-amino-4-cyanopyrazole (C10H10Cl2N5O2, Mr = 298.09) has been determined by single-crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1^- with a = 8.1258(10), b = 8.6460(10), c = 10.0214(12) A, α = 68.986(2), β = 71.598(2), γ = 85.181(2)°, V = 623.26(13) A3, Z = 2, Dc = 1.588 g/cm^3,μ = 0.525 mm^-1, F(000) = 300, R = 0.0613 and wR = 0.1524 for 1890 observed reflections, and the extinction coefficient = 0.010(5). The crystal structure is stabilized by N-H...N hydrogen bonds. 相似文献
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1 INTRODUCTIONInrecentyears ,triazolo[3,4, b] 1 ,3,4 thiadiazolederivativeshavebeenat tractingmuchattentionfromchemistsandpharmacologistsbecausetheyshowbroadspectraofbiologicalactivities,suchasinsecticidal[1 ] ,antifungal[2 ] ,herbicidal[3] ,an tibacterial[4] ,hypotensiv… 相似文献
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1 INTRODUCTION Substituted 1,2,4-triazines represent an important class of nitrogen-containing heterocycles. The 1,2, 4-triazine core is a versatile synthetic platform to access a wide range of condensed heterocyclic ring systems via intramolecular Diels-Alder reactions with a vast array of dienophiles[1~5]. In addition, 1,2, 4-triazines have been associated with diverse activi- ties such as antihypertension and inhibition of pla- telets[6] and antiinflammatory[7], and been a key com- po… 相似文献
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The title compound 2-amino-4-chloro-5-(4-methylbenzyl)-6-methylpyrimidine (C26H28Cl2N6, Mr = 495.44) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. The crystal belongs to monoclinic, space group P21/c with a = 14.892(7), b = 6.129(3), c = 14.889(7) , β = 109.795(8)°, V = 1278.7(10) 3, Z = 2, F(000) = 520, Dc = 1.287 g/cm3, μ = 0.280 mm-1, the final R = 0.0577 and wR = 0.1589 for 1357 observed reflections with I > 2σ(I). A total of 6091 reflections were collected, of which 2257 were independent (Rint = 0.033). The X-ray analysis reveals that the chlorine atom and methyl of the title compound are disordered. 相似文献
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The title compound(E)-2-(4-tert-butyl-5-(4-methoxybenzyl)thiazol-2-ylimino)me-thylphenol was synthesized by the reaction of 5-(4-methoxybenzyl)-4-tert-butylthiazol-2-amine with salicylaldehyde=and its crystal structure was determined by single-crystal X-ray diffraction.The crystal belongs to the monoclinic system=space group P21/c with a=5.9362(8)=b=11.5070(15)=c=29.460(4)=β=97.326(3)°=V=1995.9(5)3=Z=4=F(000)=808=C22H24N2O2S=Mr=380.49=Dc=1.266 g/cm3=S=1.031=μ=0.181 mm--1=the final R=0.0474 and wR=0.1441 for 4327 observed reflections(I > 2σ(I)).Intramolecular O-H…N hydrogen bond is observed in the crystal.The preliminary bioassay showed that the title compound exhibits 95% inhibition rate against Rhizoctonia solani at the test concentration of 500 mg/L. 相似文献
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1 INTRODUCTION The triazole derivatives were widely studied because they represent the largest group of modern fungicides and extensively used in both human and veterinary therapy and in agriculture[1~3]. For exam- ple, there are commercially available … 相似文献
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SHEN Ru-Wei YANG Yu-Zhu CAO Jian WU Lu-Ling HUANG Xian 《结构化学》2007,26(12):1505-1508
The title compound 4-bromo-5-ethoxy-3-methyl-5-(naphthalen-1-yl)-1-tosyl-1H- pyrrol-2(5H)-one 1 (C24H22BrNO4S, Mr = 500.40) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. It crystallizes in monoclinic, space group P21/n with a = 8.8562(15), b = 18.118(3), c = 14.055(2) , β = 99.855(3)o, V = 2221.9(6) 3, Z = 4, Dc = 1.496 g/cm3, μ = 1.975 mm-1, λ = 0.71073 , F(000) = 1024, R = 0.0607 and wR = 0.1371. 相似文献
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1INTRODUCTIONThiosemicarbazidespossessingNC=Sgroupareanessentialstructurefeatureresponsibleforvariousbiocidalproperties[1~7].Moreover,theyaretheconvenientandkeyintermediatesforthesyn-thesisofheterocycliccompoundssuchas1,3,4-thiadiazoles,1,2,4-triazoleand… 相似文献
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The crystal structure of the title compound(E)-ethyl 2-(4-(2,4-dimethoxy benzylide-neamino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-ylthio)acetate(4,C24H28N4O7S,Mr = 516.17) was synthesized and determined by X-ray single-crystal diffraction.The crystal belongs to the monoclinic system,space group P21/n with a = 13.162(2),b = 8.4506(13),c = 22.602(4) ,β = 99.888(3)°,μ = 0.183 mm-1,V = 2476.5(7)3,Z = 4,Dc = 1.385 g/cm3,F(000) =1088,T = 110(2) K,R = 0.0426 and wR = 0.1216 for 3859 observed reflections with I > 2σ(Ⅰ). 相似文献
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通过1-苯基-3-甲基-4-氯乙酰基-吡唑啉酮-5(PMCP)和氨基硫脲( TSC)缩合,形成了一种含NNS六元杂环的光致变色化合物(PMCP-TSC)。利用元 素分析,MS,”1H NMR,IR和UV光谱进行了表征。通过紫外可见光谱对它的光致 变色性质进行了研究,测出了光致变色反应的动力学常数。并用X线单晶衍射仪测 定了PMCP-TSC变色后的晶体结构,该晶体属单斜晶系,具有P2_1/c空间群,a = 0.105 10(2) nm, b = 0.150 61(3) nm, c = 0.993 70(10) nm, β = 107.890 (10)°, V = 1.496 9(4) nm~3, Z - 4, D_c = 1.417 Mg/m~3, μ = 0.232 mm~(- 1), F(000) = 672, R = 0.033 4, wR = 0.089 6。结构分析表明:其光致变色现 象是由于它在溶剂与光的共同作用下发生了从醇式到酮式的异构化。同时该化合物 经分子间氢键形成二聚体,又通过甲醇与本体分子之间的氢键使化合物形成具有三 维网络结构的超分子化合物。 相似文献
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1 INTRODUCTION Pyrazole and its derivatives represent one of the most active classes of compounds possessing a wide spectrum of biological activities. During the past years considerable evidence has been accumulated to demonstrate the efficacy of pyra- … 相似文献
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7,7-二甲基-2-对溴苯基-4-苯基-5-氧代-1,4,5,6,7,8-六氢化-6H-喹啉的合成及晶体结构 总被引:1,自引:0,他引:1
标题化合物C23H22BrNO是由1-(4-溴苯基)-3-苯基-2-丙烯-1-酮与5,5-二甲基-1, 3-环己二酮在N, N-二甲基甲酰胺(DMF)中在NH4OAc催化下反应而得。结构通过单晶X-射线衍射分析确定,其晶体属于单斜晶系,空间群C2/C, a = 19.678(4),b = 13.571(2),c = 17.311(3) 牛琤 = 118.74(1),Mr = 408.33, V = 4055(1) ?,Dc = 1.338 g/cm3, Z = 8, m (MoKa) = 2.038 mm-1, F(000) = 1680, R = 0.0539,wR = 0.1369。X-衍射分析表明,六元环C(10)C(13)C(16)C(17)采用半椅式构象:原子C(10),C(11),C(12),C(16)和C(17)在同一个平面内,而原子C(13)远离平面为0.3282 牛闷矫嬗?个苯环的夹角分别为41.09, 81.97,2个苯环的夹角为75.87。另外在晶体结构中,存在1个分子间氢键。 相似文献
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YANG Jian-Guoa PAN Fu-Youb② a 《结构化学》2005,24(12):1403-1407
1 INTRODUCTION 2. 1 Physical measurements Azole derivatives, such as pyrazole, imidazole, All solvent and chemicals were commercial rea- triazole(including benzotriazole), tetrazole and indole, gents and used without further purification. Ele- have extensive biological activities. They have be- mental analyses were performed on a PE 1700 CHN come the central focus of studies for agricultural che- auto elemental analyzer. IR spectra were recorded on micals, medicines, plant growth regul… 相似文献
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WANG Jian-Guo XIAO Yong-Jun Li Zheng-Ming SONG Hai-Bin 《结构化学》2007,26(5):501-504
The crystal structure of the title compound (C17H16N4O3S2, Mr = 388.46) has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 13.688(2), b = 16.704(3), c = 8.3308(12) , β = 99.474(6)o, V = 1878.8(5) 3, Mr = 388.46, Z = 4, Dc = 1.373 g/cm3, μ = 0.308 mm–1, F(000) = 808, R = 0.0389 and wR = 0.0917. X-ray analysis reveals that the crystal structure involves intermolecular N–H…O and N–H…N hydrogen bonds, which link the molecules into a layer parallel to the ac plane. 相似文献
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利用1-苯基-3-甲基/苯基-4-氯乙酰基-吡唑啉酮-5(PMCP/DPCP)与4-乙基氨基硫脲(ETSC)发生缩合反应,生成了2个新的双杂环化合物2-乙氨基-6H-5-(1-苯基-3-甲基/苯基-5-吡唑啉酮-4-基)-1,3,4-噻二嗪(PMCP-ETSC/DPCP-ETSC),并对其进行元素分析、红外光谱、核磁共振表征和晶体结构分析.PMCP-ETSC晶体属于单斜晶系,Pm空间群,晶胞参数:a=0.7947(1)nm,b=0.8348(1)nm,c=1.1990(2)nm,β=106.07(1)°,V=0.77269(2)nm3,Z=2,Dc=1.356g/cm3,μ=0.219mm-1,F(000)=332,R=0.0298,wR=0.0704.该化合物通过分子间氢键形成沿c轴无限延伸的一维链状结构.DPCP-ETSC晶体属于正交晶系,Pna21空间群,晶胞参数:a=1.1478(2)nm,b=1.3545(2)nm,c=1.1994(2)nm,V=1.8646(4)nm3,Z=4,Dc=1.345g/cm3,μ=0.194mm-1,F(000)=792,R=0.0345,wR=0.0694,此化合物通过分子间氢键形成沿c轴成链状,沿ab平面成波浪状的超分子结构. 相似文献