《dichloro-4-(1,1,2,2-tetrafluoroethoxyl)phenyl Urea Synthesis, X-ray Structure and Bioactivity of N-4-Methyl-1,2,3-thiadiazole-5-carbonyl-N-3,5- dichloro-4-(1,1,2,2-tetrafluoroethoxyl)phenyl Urea》.pdfVIP
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《dichloro-4-(1,1,2,2-tetrafluoroethoxyl)phenyl Urea Synthesis, X-ray Structure and Bioactivity of N-4-Methyl-1,2,3-thiadiazole-5-carbonyl-N-3,5- dichloro-4-(1,1,2,2-tetrafluoroethoxyl)phenyl Urea》.pdf
31卷 12期 结 构 化 学 (JIEGOUHUAXUE) Vo1.31No.12
2012.12 Chinese Struct. Chetn. 1721—1728
Synthesis,X—rayStructureandBioactivityof
N一4一M ethyl一1,2,3一thiadiazole一5一carbonyl—N-3,5一
dichloro.4.(1,1,2,2.tetranu0roeth0xy1)phenylUrea①
GUO Dan—Dan NGDun R Zhi—Jin
LIJuan—Juan SONGHai—Bina FANQian0 TatianaA.Kalininac
MorzherinYuryYur’evich。 BelskayaN.Pavlovnac BakulevV Alekseevichc
(StateKeyLaboratoryofElementoOrganicChemistry,NankaiUniversi 乃 ,in300071,China)
。(SichuanFunctionalHeterocyclicCompoundsEngineeringTechnologyResearchCenter,
LierChemicalsCo.,Ltd.,No.97Mianxingdonglu,Mianyang,Sichuan621000,China)
。f P 日,FederalUniversityNamedafterthe厅 fPresidentof
RussiaB.N.Yeltsin.YeltsinUrFU620002Ekaterinburg,Russia)
ABSTRACT The titlecompound N一4一methyl一1.2,3一thiadiazole一5一carbonyl—N 一3,5一dichloro-4一
(1,1,2,2一tetrafluoroethoxy1)phenylurea(CI3HsClzF4N403S, =447.19)hasbeensynthesizedfrom
4-methyl·1,2,3-thiadiazole一5-carbonylchlorideasthe starting material,and itsstructurewas
characterizedbyprotonNuclearMagneticResonance(HNMR),InfraRedSpectroscopy(IR),
high—resolutionmassspectroscopy(HRMS),andsingle—crystalX—raydiffraction.Thecrystalofthe
titlecompoundbelongstotriclinic,spacegroupP1witha=6.0780(8),b=11.3760(14),c=
12.1440(I8)A, =96.887(7), =91.027(12),),:104.252(13)。,Z:2,V=806.98(19)A,D =
I.840g/cm, =0.601mm~,F(O00):448,R=O.0450andwR=0.0869.X—rayanalysisindicates
thattheI,2,3一thiadiazoleringisnotcoplanarwiththephenylring,andthedihedralangleis33.57。.
TwointermolecularhyrdogenbondsN(2)一H…O(I),S(I)…H-C(11),andthreeweakintermolecular
interactions,C(11)…O(1),N(1)…0(2)andS…O(1),areobserved.Thebioass
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