Synthesis and Crystal Structure of Co(C_6NO_2H_4)_3. H_2O

1INTRoDUCTIONAlotofresultsoncobaltcomplexstructureshavebeenreportedforseveraldecades.Theinterestofresearchinthisfieldhasneverbeenreducedbecausethecobaltcomplexesplayaveryimportantroleinthelifescienceandcatalysis,etc[1-6).WereportherethesynthesisandstructureofcomplexCo(C,NO,H'),.H,O.2EXPERIMENTALAllreagentsandsolventsusedareofARgradefromcommericalsourceswithoutfurtherpurification.ThetitlecompoundCo(C,NO,H,),.H,Owassynthesizedbythefollowingmethod.When2.4g(ca.1mmol)ofCoCl2.6H2Ow…     

Synthesis and Crystal Structure of [Cu_2(DMF)(H_2O)(C_7H_4NO_4)_2(C_7H_3NO_4)]_2·3.5DMF

A new copper(II) complex [Cu2(DMF)(H2O)(C7H4NO4)2(C7H3NO4)]2·3.5DMF has been synthesized and its structure was determined by single-crystal X-ray diffraction.The crystal is of triclinic,space group P1 with a = 10.722(3),b = 18.170(4),c = 20.923(7),α = 105.297(9),β = 101.701(10),γ = 105.74(1)°,V = 3615(1) 3,Z = 2,C58.50H64.50Cu4N11.50O31.50,Mr = 1686.90,Dc = 1.550 g/cm3,μ = 1.255 mm-1,F(000) = 1728.00,T = 150(2) K,the final R = 0.0640 and wR = 0.173 for 11310 observed reflections with I > 2σ(I).In the crystal,each formular unit consists of two dinuclear copper(II) compounds,between which the O-H···O hydrogen bonds exist.Each CuII cation is six-coordinated in an octahedral geometry.The intermolecular hydrogen-bonding interaction leads to a 3-D framework of the title compound.     

Crystal and Molecular Structure of 1-Methyl-4-(2-( 3,4-dimethoxyphenyl) vinyl) pyridinium 4-Tolylsulfonate Dihydrate C_(16)H_(18)NO_2~+·C_7H_7SO_3~-·2H_2O

1 INTRODUCTIONAs a useful nonlinear optical material, the molecule must have a large second-order hyperpolarizability (β), and also must crystallize in a non-centrosymmetric structure to have a large ((2). Organic conjugated molecules with electronic donors and acceptors possibly have quite strong second-order NLO property. However, only a small percentage of the molecules with large β crystal-lize in useful non-centrosymmetric crystals. Marder and his co-worker carried out a simple an…     

Crystal and Molecular Structure of 4-Hydroxy-3-Methoxy-4-N-Methylstilbazonium Iodide C_(15) H_(16) NO_2 +·I~-CrystalandMolecularS

１　ＩＮＴＲＯＤＵＣＴＩＯＮＲｅｓｅａｒｃｈｏｎＳＨＧｅｆｆｅｃｔｈａｓｂｅｅｎｏｎａｒｅｍａｒｋａｂｌｅｐｏｓｉｔｉｏｎｉｎｏｒｇａｎｉｃｎｏｎｌｉｎｅａｒｏｐｔｉｃａｌ（ＮＬＯ）ｍａｔｅｒｉａｌｓｆｉｅｌｄ．Ｔｈｅｃｏｎｊｕｇａｔｅｄｄｅｌｏｃａｌｉｚｅｄπｅｌｅｃｔｒｏｎｓｐｏｓｓｉｂｌｙｒｅｓｕｌｔｉｎｔｈｅｓｅｃｏｎｄ－ｏｒｄｅｒＮＬＯｐｒｏｐｅｒｔｙｏｆｏｒｇａｎｉｃｃｏｍｐｏｕｎｄｓ,ｓｏａｎｕｍｂｅｒｏｆｎｉｔｒｏａｎｉｌｉｎｅｄｅｒｉｖａｔｉｖｅｓ,ｓｕｃｈａｓ２－ｍｅｔｈｙｌ…     

Crystal Structure of [Cu(C_(21)H_(25)N_2O_4) (H_2O)_2]·NO_3·2H_2O

ＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆ［Ｃｕ（Ｃ_（２１）Ｈ_（２５）Ｎ_２Ｏ_４）（Ｈ_２Ｏ）_２］·ＮＯ_３·２Ｈ_２ＯＷｕＪｉｅ－Ｙｉｎｇ;ＸｉｅＦｕ－Ｘｉｎ;ＴｉａｎＹｕ－Ｐｅｎｇ;ＣｈｅｎＹａｏ;ＮｉＳｈｉ－Ｓｈｅｎｇ;ＤｕＳｈａｏ－Ｗｕ;ＷｕＸｉｎ...     

Crystal Structure of[La(NO_3)_3(12-crown-4)-(H_2O)](12-crown-4)

ＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆ［Ｌａ（ＮＯ_３）_３（１２－ｃｒｏｗｎ－４）－（Ｈ_２Ｏ）］（１２－ｃｒｏｗｎ－４）ＭａｏＪｉａｎｇ－Ｇａｏ；ＪｉｎＺｈｏｎｇ－Ｓｈｅｎｇ；ＹｕＦｅｎｇ－Ｌａｎ（ＬａｂｏｒａｔｏｒｙｏｆＲａｒｅＥａｒｔｈＣｈｅｍｉ?..     

Synthesis and Crystal Structure of[C_6H_5CH_2C_5H_4ErCl_2(THF)_3]·THF

ＳｙｎｔｈｅｓｉｓａｎｄＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆ［Ｃ_６Ｈ_５ＣＨ_２Ｃ_５Ｈ_４ＥｒＣｌ_２（ＴＨＦ）_３］·ＴＨＦＧａｏＦｕ－Ｘｉｎｇ；ＷｅｉＧｅ－Ｃｈｅｎｇ；ＪｉｎＺｈｏｎｇ－Ｓｈｅｎｇ；ＣｈｅｎＷｅｎ－Ｑｉ（ＣｈａｎｇｃｈｕｎＩｎｓｔｉ?..     

Synthesis and Crystal Structure of (C_6N_3H_(18))_2Ti_4O_4(C_2O_4)_7·4H_2O

1 INTRODUCTION The open-framework inorganic materials have been synthesized before the early 1980s[1]. Parti- cularly, metal phosphates have been investigated widely during the past few years[2, 3]. In recent years, considerable efforts have been devote…     

Synthesis and Crystal Structure of Dinitratedioxobis(p-methyl Phenyl Butyl Sulfoxide)Uranium(Ⅵ)[UO_2(p-CH_3C_6H_4SOC_4H_9)_2(NO_3)_2]

1INTRODUCTIONTheextractioncapacityofsulfur--containingsulfoxidesiscomparabletoandevengreaterthanthatoftributylphosphate(TBP)asanextractantfortheextractionandseparationofuraniumandthorium.Atthesametime,theradiolyticstabilityofsulfoxidesisbetterthanthatofTBP'1'23,SothesulfoxidecanbeusedpotentiallyforreprocessingofspentTh--Unuclearfuel.Howeverthecrystalstructureofuranylcomplexwithsulfoxideshas'notbeenreportedt3'4'93.Theknowledgeofthemolecularstructureofthetitlecomplexisusefulforinvestigat…     

Synthesis and Crystal Structure of Chloro(p-toluidine)[4-(p-tolyl)imino-2-pentanone-3-oximato]- palladium(Ⅱ), PdCl(p-CH_3C_6H_4NH_2)(p-CH_3C_6H_4-iai)

1 INTRODUCTION Transition metal complexes of N-R-isonitroso- b-ketoimine have received considerable interest, because the isonitroso (oximo) group can coordinate to metal atoms through its oxygen and/or nitrogen atoms to form several geometrical isomers[1～4]. Some palladium(Ⅱ) complexes with N-R-isonitro- soacetylacetoneimine (abbreviated to R-Hiai)[4] and N-R-isonitrosoethylacetoacetate (abbreviated to R- Hieai)[5] have been reported. Here we will report the structure of a palladi…     

Synthesis and Crystal Structure of Neodymium Complex ［Nd（C_6H_4OHCHNC_2H_4NCHC_6H_4OH）（NO_3）_3（CH_3SOCH_3）］

ＳｙｎｔｈｅｓｉｓａｎｄＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆＮｅｏｄｙｍｉｕｍＣｏｍｐｌｅｘ［Ｎｄ（Ｃ_６Ｈ_４ＯＨＣＨＮＣ_２Ｈ_４ＮＣＨＣ_６Ｈ_４ＯＨ）（ＮＯ_３）_３（ＣＨ_３ＳＯＣＨ_３）］ＺＨＡＮＧＭｉｎ；ＫＯＮＧＦａｎ－Ｒｏｎｇ；ＺＨＵＨｕｉ－Ｊ...     

Crystal Structure of Trinitratotri（Butylcaprolactam） Terbium（Ⅲ） Tb［CH_2（CH_2）_4CONC_4H_9］_3（NO_3）_3

ＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆＴｒｉｎｉｔｒａｔｏｔｒｉ（Ｂｕｔｙｌｃａｐｒｏｌａｃｔａｍ）Ｔｅｒｂｉｕｍ（Ⅲ）Ｔｂ［ＣＨ_２（ＣＨ_２）_４ＣＯＮＣ_４Ｈ_９］_３（ＮＯ_３）_３ＷＡＮＧＨａｎ－Ｚｈａｎｇ；ＸＵＱｉｎｇ－Ｆｅｎｇ；ＱＩＡＮＰｕ；ＣＡ...     

Synthesis and Crystal Structure of Neodymium Complex[Nd (C_(18)H_(20)N_2O_4) (NO_3)_3]

1INTRODUCT1oNMeta1liccomplexesofsomeSchiffbaseshaveantiviraIandfungistaticac-tivies[1-3i.SomeSchiffbasemetalliccomplexeshavecatalyticactivityasenzyme"'.Thisaspectacu1arresearchfield-WehavereportedthesynthesisandcrystalstructureofNd(llI)nitratecomplexwithN,N-disalicyclideneethylenediamineandDMSO(si'HerethetitlecomplexwasobtainedandcharacterizedbyX-raydiffrac-tion'Theligandisdischiffbaseofcondensationfrom2-hydroxyl-3-methoxyben-zoaldehydeandethylenediamine.2EXPERIMENTAL2.1Synthesi…     

混合三烃基锡有机酸酯化合物构效关系 （Ⅰ）二环己基－甲基－2，4－二溴－β－甲基苯氧乙酸锡酯 及二环己基－甲基－2－甲氧基－4－丙烯基苯氧乙酸锡酯的晶体结构和分子结构

报道２，４－Ｂｒ２Ｃ６Ｈ３ＯＣＨ（ＣＮ３）ＣＯ２Ｓｎ（Ｃ６Ｈ１１）２ＣＵ３（１）和２－ＯＣＨ３－４－ＣＨ３ＣＨ＝ＣＨＣ６Ｈ３ＯＣＨ２ＣＯ２Ｓｎ（Ｃ６Ｈ１１）２ＣＨ３（Ｈ２Ｏ）（Ⅱ）的晶体结构和分子结构。（Ⅰ）单斜晶系，空间群Ｐ２１／ｃ，ａ＝１３．０６７（３），ｂ＝１０．５９４（３），ｃ＝１８．１５７（４），β＝１０６．９９（２）°，Ｚ＝４，Ｄｃ＝１．６７２ｇ／ｃｍ３，Ｖ＝２４０３．７３，μ＝４３．７３１ｃｍ－１，Ｍｒ＝６２２．９９，Ｆ（０００）＝１２３２；（Ⅱ）单斜晶系，空间群Ｐ２１／ｎ，ａ＝１０．４０９（１），ｂ＝　１２．５７０（２），ｃ＝２０．６６４（２），β＝８３．５１（１）°，Ｚ＝４，Ｄｃ＝１．２８１ｇ／ｃｍ３，Ｖ＝２６８６．４Ａ３，μ＝９．７６１ｃｍ－１，Ｍｒ＝５３９．２８，Ｆ（０００）＝１１２０．最后的偏离因子，化合物（Ⅰ）Ｒ＝０．０４６，Ｒω＝０．０４６；化合物（Ⅱ）Ｒ＝０．０４９，Ｒω＝０．０４７。晶体结构解析表明，化合物（Ⅰ）和（Ⅱ）中的锡均被配体的３个碳和２个氧原子配位，配位原子呈畸变三角双锥构型；化合物中的环己基均为椅式构象；化合物（Ⅱ）中，配位水分子和另一分子的羰基氧与芳环上的甲基氧?     

Synthesis,Crystal Structure and Biological Activity of 2-(3,4-Dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5-dihydrothiazol-4-yl-3-methylbenzoate

The title compound diethyl 2-(3,4-dichloroisothiazol-5-yl)-4-(trifluoromethyl)-4,5-dihydrothiazol-4-yl-3-methylbenzoate(C15H9Cl2F3N2O2S2, Mr = 441.26) was prepared from methyl 3,4-dichloroisothiazole-5-carboxylate as the starting material by four steps of reaction. Its structure was characterized by IR, 1H-NMR, 13C-NMR, EA and single-crystal X-ray diffraction. The crystal of the title compound belongs to the monoclinic system, space group P21/c with a = 8.8437(18), b = 16.128(3), c = 12.305(3), β = 91.68(3)o, V = 1754.4(6) 3, Z = 4, Dc = 1.671 g/cm3, μ(Mo Ka) = 0.71073 mm-1, F(000) = 888, R = 0.0384 and w R = 0.0778. Weak π-π interactions occur between the isothiazole rings and phenyl rings of adjacent molecules to form a one-dimensional chain and stabilize the crystal structure. Bioassay indicates that the title compound has good activity against the fungi and TMV tested.     

Crystal Structure of 1，6：3，4－Dianhydro－β－D－galactopyranose－2－O－p－tolylsulfonate（C_13H_14O_6S）

ＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆ１，６：３，４－Ｄｉａｎｈｙｄｒｏ－β－Ｄ－ｇａｌａｃｔｏｐｙｒａｎｏｓｅ－２－Ｏ－ｐ－ｔｏｌｙｌｓｕｌｆｏｎａｔｅ（Ｃ_１３Ｈ_１４Ｏ_６Ｓ）ＷａｎｇＡｎ－Ｌａｉ；ＬｕＳｈｉ－Ｊｉｅ；ＦｕＨｏｎｇ－Ｘｉａｎｇ；Ｗａ?..     

[Mo(C_9H_6NO)_2O_2]的合成和晶体结构

合成了标题化合物MoC9H6NO2O2C9H6NO=8羟基喹啉测定了化合物的晶体结构。晶体属单斜晶系空间群Cca=13.3723b=9.4212c=13.5543β=109.713°V=1607.683。结构由直接法解出最后可靠性因子R=0.0473Rw=0.062。Mo原子为6配位位于八面体的中心。两个配体氧相互处于邻位分别与8羟基喹啉中的N原子处于对位。