| Synthesis and Crystal Structure of S-（＋）-N＇-Tertbutylaminocarbonyl-N- [3-methyl-2-（4-chlorophenyl）butyryl] Thiourea |
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| 基金项目： | 国家重点基础研究发展计划(973计划) |
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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 an alysis. 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: C17H24ClN3O2S, 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) (A)3, Z = 8, Dc = 1.185 g/cm3, F(000) = 1568,μ(MoKa) = 0.298 mm-1, R =0.0578 and wR = 0.1308.
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| 关 键 词： | 硫脲 晶体结构 抗滤过性病原体 合成工艺 |
Synthesis and Crystal Structure of S-( + )-N''-Tertbutylaminocarbonyl-N-[3-methyl-2-(4-chlorophenyl)butyryl] Thiourea |
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| SUN Chuan-Wen,ZHANG Xiao-Dong. Synthesis and Crystal Structure of S-( + )-N''-Tertbutylaminocarbonyl-N-[3-methyl-2-(4-chlorophenyl)butyryl] Thiourea[J]. Chinese Journal of Structural Chemistry, 2007, 26(2): 153-156 |
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| Authors: | SUN Chuan-Wen ZHANG Xiao-Dong |
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| Affiliation: | Bio-X Life Science Research Center, Shanghai Jiaotong University, Shanghai 200030, China |
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| Abstract: | 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 an alysis. 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: C17H24ClN3O2S, 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) (A)3, Z = 8, Dc = 1.185 g/cm3, F(000) = 1568,μ(MoKa) = 0.298 mm-1, R =0.0578 and wR = 0.1308. |
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| Keywords: | crystal structure S-( )-3-methyl-2-(4-chlorophenyl)butyryl thiourea antiviral activity Crystal Structure Synthesis space groups Crystallographic data interaction carbonyl hydrogen exist intramolecular thiourea synthesized crystal structure diffraction compound |
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