Synthesis and Crystal Structure of 4,4′-(4-(1-Naphthyl)-4-phenyl- 1,3-butadienylidene)-bis[N,N-diethylbenzenamine]

The title compound (C40H42N2) has been synthesized by the reaction of 1-(1-naphthyl)-1-phenyl-3-chloropropylene and bis(4-(diethylamino) phenyl)methanone, and characterized by IR, 1H NMR, MS and X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c with a = 17.047(3), b = 10.807(2), c = 1&494(4) (A), β = 105.727(4)°, V=3279.4(11) A3, Mr = 550.76, Z = 4, Dc = 1.115 g/cm3, μ(MoKα) = 0.085 mm-1, F(000) = 1184, the final R = 0.0625 and wR = 0.1384 for 2276 observed reflections (I ＞ 2σ(Ⅰ)). X-ray analysis reveals that the butadiene fragment adopts a planar cisiod conformation and makes a dihedral angel of 69.4(2)° with the naphthalene ring.     

Synthesis and Crystal Structure of N,N′-Bis-[3-chloro-5-S-(l-menthyloxy)-2(5H)-4-furanon-yl]-propane-1,3-diamine

The title compound,N,N′-bis-[3-chloro-5-S-(l-menthyloxy)-2(5H)-4-furanon-yl]-propane-1,3-diamine(C31H48Cl2N2O6,Mr = 615.61),has been synthesized and characterized by IR,1H NMR,MS,elemental analysis and single-crystal X-ray diffraction.The crystal crystallizes in the monoclinic system,space group C2 with a = 16.1091(4),b = 11.1880(3),c = 19.2854(5) ,β = 106.297(2)°,V = 3336.12(15) 3,Z = 4,Dc = 1.226 mg/m3,μ = 0.237 mm-1,F(000) = 1320,the final R = 0.0531 and wR = 0.0700 for 2760 observed reflections(I > 2σ(I)).X-ray analysis reveals that the title compound possesses four rings:two chiral five-membered furanone rings and two six-membered cyclohexane rings with chair conformation,containing eight chiral centers:C2(S),C3(R),C5(R),C10(S),C18(S),C21(R),C22(S) and C25(R).The structure is stabilized by N-H…O hydrogen bonding interaction.     

Synthesis and Crystal Structure of 4,4'-(4-(1-Naphthyl)-4-phenyl-1,3-butadienylidene)-bis[N,N-diethylbenzenamine]

1 INTRODUCTION Organic photo-conductors (OPCs), due to their great advantages over inorganic ones, have been widely used in xerography and holography and aroused considerable interest in the past several de- cades. Recently, almost all OPCs are of a layered structure with a thin charge generation layer (CGL) and a charge transport layer (CTL). Current resear- ches are directed to both improving the chara- cteristics of existing OPCs and developing new ma- terials for future applicati…     

Synthesis and Crystal Structure of Ethyl 5-Amino-1-[（5′-methyl-1′- t-butyl-4′-pyrazolyl）carbonyl]-3-methylthio-1H-pyrazole-4-carboxylate

1INTRODUCTIONPolarizedketenedithioacetalshavebeenex-tensivelyusedasbuildingblocksinorganicsyn-thesis,especiallyinthesynthesisofheterocycliccompounds[1～6].Pyrazoleanditsderivativesrepre-sentoneofthemostactiveclassesofcompoundspossessingwidespectraofbiologicalactivities.Overthepastfewyears,considerableevidenceshavebeenaccumulatedtodemonstratetheefficacyofpyrazolederivatives,suchasantibacterial[7],fun-gicidal[8],herbicidal[9],insecticidal[10]andotherbiologicalactivities[11,12].Uptonow,alarg…     

Synthesis and Crystal Structure of 1,2-Dis（1,3-diphenylpropan-2-yl）disulfane

A novel compound of 1,2-dis(1,3-diphenylpropan-2-yl)disulfane(C30H30S2,Mr=454.27)was synthesized in ethanol with 1,3-diphenyl-2-propanone as raw materials,giving high yield of product(90%).Its structure was determined by IR,1H NMR,MS,elemental analysis and X-ray diffraction.The crystal belongs to monoclinic,space group C2 with a=18.727(3),b=6.5179(9),c=13.7576(18),β=131.0610(10)o,V=1266.2(3)3,Z=2,Dc=2.136 g/cm3,μ=1.078 mm-1,F(000)=843,R=0.0490 and wR=0.1247 for 3211 observed reflections with I>2(I).X-ray analysis reveals that the molecule is not symmetrical.There exist no classical hydrogen bonds andπ-πstacking interactions.Moreover,the thermal stability of compound 3 was investigated.     

Synthesis and Crystal Structure of 2-Nitro-9,9-bis（methylpropionate）fluorine

The title compound of 2-nitro-9,9-bis(methylpropionate)fluorine (C21H21NO6 , Mr=383.39) was synthesized for the first time. Complete assignments were achieved by 1H NMR, IR, EI-MS, elemental analysis and single-crystal X-ray diffraction technique. The crystal belongs to monoclinic, space group P21/c with a=11.4581(15), b=10.3624(14), c=16.573(2) , β=96.629(2) o , V=1954.6(5) 3 , Z=4, Dc=1.303 g/cm 3 , μ=0.096 mm -1 , F(000) = 808, R =0.0493 and wR=0.1499 for 3107 observed reflections with I > 2σ(I). X-ray analysis reveals that three fused rings of the fluorene system are almost coplanar and the two ester groups are nearly perpendicular to the fused-ring system. Weak C-H O hydrogen bonding connects the molecules into centrosymmetric dimmers.     

Synthesis, Crystal Structure, Antibacterial Activities and Theoretical Computation of 3-（2-Hydroxybenzly）-4-（4-isopropylbenzylideneamino）-（1H）-1,2,4-triazole-5-thione

1INTRODUCTION Recently,compounds containing pyrazole,imida-zole,triazole(including benzotriazole),pyridine,tetrazole and indole have attracted much interest because they exhibit some fungicidal activity,plant-growth regulating activity and antibacterial acti-vity[1～10].Schiff bases also constitute a good type of biologically active substructure[11～14],and the sulfur-containing Schiff bases are particularly effective.Studies of pyrazole Schiff base-type fungicides andtriazole compounds c…     

Synthesis and Crystal Structure of Spiro[1-bromo-4-methoxy-5-oxa-6-oxo-bicyclo[3.1.0]hexane-2,2′-（3′- cyclohexanoxy-4′-methoxybutyrolactone]

1INTRODUCTIONThecyclopropane-containingnaturalproductshavereceivedconsiderableattentionassynthetictar-getsastheincorporationofrigidifiedcyclopropylmotifintobioactiveanaloguescanleadtoconfor-mablyconstrainedmolecules[1,.Suchmodifica-2]tionsareexpectedtohavesignificanteffectsonbio-activitieswithconcomitantmedicalimplications.Des-pitethegreatadvancesinthisfield,theefficientsyn-thesisofspiro-cyclopropanecompoundsstillremainsaconsiderablechallenge.Particularnoticeisthede-ficiencyinthepreviousm…     

Synthesis and Crystal Structure of 3-（4-Bromobenzyloxy）-6-morpholinopyridazine

The title compound 3-(4-bromobenzyloxy)-6-morpholinopyridazine(C15H16BrN3O2) was synthesized,and its crystal structure was studied.It crystallizes in the triclinic system,space group P with a = 8.3408(17),b = 8.8620(18),c = 10.832(2) ,α = 108.09(3),β = 91.28(3),γ = 100.90(3)°,Dc = 1.562 g/cm3,Z = 2,λ = 0.71073 ,μ(MoKα) = 2.769 mm-1,Mr = 350.22,V = 744.5(3) 3,F(000) = 356,the final R = 0.0522 and wR = 0.1366 for 2016 observed reflections with I > 2σ(I).In the crystal structure,the morpholine ring adopts a chair conformation with O(2) and N(3) atoms at the flap positions-0.656(7) and 0.622(6)  out of the mean plane formed by the other four C atoms,respectively.These molecules generate centro-symmetric dimers through intermolecular π-π interaction.     

Synthesis and Crystal Structure of 3,3＇-（4-Dimethylaminobenzylidene）- bis-（4-hydroxycoumarin）

The title compound 3,3'-(4-dimethylaminobenzylidene)-bis-(4-hydroxycoumarin) 3 was synthesized by the reaction of 4-hydroxycoumarin with 4-dimethylaminobenzaldehyde, and its chemical structure was determined by X-ray single-crystal diffraction. It crystallizes in monoclinic, space group P21/n with a = 11.698(2), b = 10.882(2), c = 16.594(3) , β = 90.69(3)o, V = 2112.1(7) 3, Z = 4, F(000) = 952, Dc = 1.432 Mg/m3, Mr = 455.45, μ = 0.102 mm-1, λ = 0.71073 , the final R = 0.0779 and wR = 0.2143 for 3031 observed reflections with I > 2σ(I).     

Synthesis and Crystal Structure Analysis of 5′-O-Tosyl-2,3′-anhydrothymidine

In this paper=5′-O-tosyl-2,3′-anhydrothymidine has been synthesized and its crystal structure was analyzed. The crystal belongs to the triclinic system=space group P1=with a=5.397(2)=b=6.1886(18)=c=3.507(5) =α =87.74(2)=β =89.84(4)=γ =73.79(2)°=C17H18N2O6S=Mr=378.39=Z=1=V=432.8(3)3=Dc=1.452 g/cm3=F(000)=198 and Flack =-0.11(14). No intermolecular hydrogen bonds exist in the crystal=and the angle between benzene ring and pyrimidine planes is 32.23°.     

Synthesis and Crystal Structure of 9-（4-Dimethylaminophenyl）-l,8-dioxo- 9H-dibenzo [c,h ]-2,7,10-trioxanthene

The title compound 9-(4-dimethylaminophenyl)-1,8-dioxo-9H-dibenzo[c,h]- 2,7,10-trioxanthene (3) was synthesized by the reaction of 4-hydroxycoumarin with 4-dimethyla- minobenzaldehyde, and its chemical structure was determined by X-ray single-crystal diffraction. It crystallizes in triclinic, space group P with a = 7.8753(16), b = 11.029(2), c = 12.913(3) , α = 69.79(3), β = 89.01(3), γ = 81.90(3)°, V = 1041.5(4) 3, Z = 2 , F(000) = 456, Dc = 1.395 Mg/m3, Mr = 437.43, μ = 0.097 mm-1, λ = 0.71073 , the final R = 0.0491 and wR = 0.1314 for 2662 observed reflections with I > 2σ(I).     

Synthesis and Crystal Structure of [CpRu（η^5-C5H5）（dppc）Cl][PF6]

1INTRODUCTION The fragment[Ru(η5-C5H5)(PPh3)2Cl]plays an important role in the organo-ruthenium chemistry development,and has been used as a versatile star-ting material for other compounds due to its stability and facile manipulation.Much work has shown that a wide range of ligands with different steric and electronic properties can displace not only the Cl ligand but also the phosphine groups in[Ru(η5-C5H5)(PPh3)2Cl][1].The interest in this fragment and related derivatives concer…     

Synthesis and Crystal Structure of 4-[（1E）-（4-Hydroxy-3,5-dimethoxybenzylidene）-amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

The title compound (C20H21N3O4, Mr = 367.40) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal is of orthorhombic, space group P212121 with a = 7.5143(15), b = 13.901(3), c = 18.545(4) , V = 1937.1(7) 3, Z = 4, Dc = 1.260 g/cm3, μ = 0.089 mm-1, F(000) = 776, the final R = 0.0616 and wR = 0.0912. X-ray diffraction reveals that the molecule adopts an E configuration about the central C=N double bond. The intermolecular O–H…O hydrogen bond stabilizes the crystal structure by causing the formation of a supramolecular architecture.     

Synthesis and Crystal Structure of Dibromo [1,1′- bis(diphenylphosphino)ferrocene]cadmium(II)

1 INTRODUCTION The transition metal complexes containing ferrocene ligand arouse the interest of chemists because of their novel structures and special properties[1]. The ferrocene derivatives have been used in electrochemistry, in nonlinear optics, and as molecular ferromagnets. Some complexes of 1,1′-bis(diphenylphosphino)ferrocene (dppf) have been synthesized, and many of their crystal structures have been reported by far[2~5]. Here we report the synthesis and crystal structure of a …