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Synthesis and Crystal Structure of S-(+)-N′-Tertbutylaminocarbonyl-N-[3-methyl-2-(4-chlorophenyl)butyryl] Thiourea

Synthesis and Crystal Structure of S-(+)-N′-Tertbutylaminocarbonyl-N-[3-methyl-2-(4-chlorophenyl)butyryl] Thiourea
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摘要 The title compound S-(+)-N'-tertbutylaminocarbonyl-N-[3-methyl-2-(4-chlorophenyl)butyryl] thiourea has been synthesized and its crystal structure was determined by singlecrystal X-ray diffraction analysis. There exist intramolecular N(2)-H(2A)…O(1), C(17)-H(17A)… O(2) and N(3)-H(3A)…S(1) hydrogen bonds as well as intermolecular N-H…O interaction between the carbonyl and amidogen groups. Crystallographic data: CITH24ClN3O2S, Mr = 369.90, monoclinic, space group C2/c with a = 22.9922(19), b = 14.4844(12), c = 12.4618(11) A, β = 92.608(2)°, V = 4145.8(6) ]k3, Z = 8, Dc = 1.185 g/cm^3, F(000) = 1568, g(MoKa) = 0.298 mm^-1, R = 0.0578 and wR = 0.1308. The title compound S-(+)-N'-tertbutylaminocarbonyl-N-[3-methyl-2-(4-chlorophenyl)butyryl] thiourea has been synthesized and its crystal structure was determined by singlecrystal X-ray diffraction analysis. There exist intramolecular N(2)-H(2A)…O(1), C(17)-H(17A)… O(2) and N(3)-H(3A)…S(1) hydrogen bonds as well as intermolecular N-H…O interaction between the carbonyl and amidogen groups. Crystallographic data: CITH24ClN3O2S, Mr = 369.90, monoclinic, space group C2/c with a = 22.9922(19), b = 14.4844(12), c = 12.4618(11) A, β = 92.608(2)°, V = 4145.8(6) ]k3, Z = 8, Dc = 1.185 g/cm^3, F(000) = 1568, g(MoKa) = 0.298 mm^-1, R = 0.0578 and wR = 0.1308.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2007年第2期153-156,共4页 结构化学(英文)
基金 This work was supported by the National Key Technologies R & D Programs of China (No. 2004BA-308A22-8)
关键词 crystal structure S-(+)-3-methyl-2-(4-chlorophenyl)butyryl thiourea antiviral activity crystal structure, S-(+)-3-methyl-2-(4-chlorophenyl)butyryl thiourea, antiviral activity
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