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| Synthesis, Crystal Structure and Bioactivities of 1-（4-Chlorophenyl）-3- [ 5-（pyrid-4-yl）- 1,3,4-thiadiazol-2-yl] urea | |
| 作者单位： | SONG Xin-Jian（Key Laboratory of Biological Resources Protection and Utilization of Hubei Province, Hubei Institute for Nationalities, Enshi 445000, China;School of Chemical and Environmental Engineering, Hubei Institute for Nationalities, Enshi 445000, China） ; LIU Xin-Ping（Key Laboratory of Biological Resources Protection and Utilization of Hubei Province, Hubei Institute for Nationalities, Enshi 445000, China） ; TAN Xiao-Hong（School of Chemical and Environmental Engineering, Hubei Institute for Nationalities, Enshi 445000, China） ; WANG Yan-Gang（College of Chemistry, Central China Normal University, Wuhan 430079, China） ; |
| 摘 要： | The title compound 1-(4-chlorophenyl)-3-5-(pyrid-4-yl)-1,3,4-thiadiazol-2-yl]urea (C14H10ClN5OS, Mr = 331.79) has been synthesized by the reaction of 2-amino-5-(pyrid-4-yl)- 1,3,4-thiadiazole with 4-chlorobenzoyl azide, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic system, space group P with a = 5.8550(8), b = 7.5668(10), c = 16.416(2) , α = 78.364(2), β = 81.204(2), γ = 84.749(2)°, V = 702.58(16) 3, Z = 2, Dc = 1.568 g/cm3, μ = 0.429 mm-1, F(000) = 340, the final R = 0.0442 and wR = 0.1092 for 2001 observed reflections (I > 2σ(I)). X-ray diffraction analysis reveals that the title molecule is nearly planar. In the crystal structure, the molecules are linked by strong intermolecular N-H…N hydrogen bonds together with weak nonclassical intermolecular (C-H…Y, Y = N, O and Cl) hydrogen bonds and stacked through π-π interactions. The preliminary bioassay shows that the title compound exhibits good fungicidal activities against Rhizoctonia solani, Botrytis cinerea and Dothiorella gregaria. |
| 关 键 词： | 1 3 4-噻二唑-2-脲 合成 晶体结构 生物活性 |
Synthesis, Crystal Structure and Bioactivities of 1-(4-Chlorophenyl)-3-[5-(pyrid-4-yl)- 1,3,4-thiadiazol-2-yl]urea |
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| Authors: | SONG Xin-Jian LIU Xin-Ping TAN Xiao-Hong WANG Yan-Gang |
| Institution: | 1. Key Laboratory of Biological Resources Protection and Utilization of Hubei Province, Hubei Institute for Nationalities, Enshi 445000, China;School of Chemical and Environmental Engineering, Hubei Institute for Nationalities, Enshi 445000, China 2. Key Laboratory of Biological Resources Protection and Utilization of Hubei Province, Hubei Institute for Nationalities, Enshi 445000, China 3. School of Chemical and Environmental Engineering, Hubei Institute for Nationalities, Enshi 445000, China 4. College of Chemistry, Central China Normal University, Wuhan 430079, China |
| Abstract: | The title compound 1-(4-chlorophenyl)-3-5-(pyrid-4-yl)-1,3,4-thiadiazol-2-yl]urea (C14H10ClN5OS, Mr=331.79) has been synthesized by the reaction of 2-amino-5-(pyrid-4-yl)- 1,3,4-thiadiazole with 4-chlorobenzoyl azide, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic system, space group P(1) with a=5.8550(8), b=7.5668(10), c=16.416(2) (A), α= 78.364(2), βγ=81.204(2)°, V= 84.749(2)°, V=702.58(16) (A)3, Z=2, Dc=1.568 g/cm3, μ=0.429 mm-1, F(000)=340, the final R=0.0442 and Wr=0.1092 for 2001 observed reflections (Ⅰ ＞ 2σ(Ⅰ)). X-ray diffraction analysis reveals that the title molecule is nearly planar. In the crystal structure, the molecules are linked by strong intermolecular N-H…N hydrogen bonds together with weak nonclassical intermolecular (C-H…Y, Y=N, O and Cl) hydrogen bonds and stacked through π-π interactions. The preliminary bioassay shows that the title compound exhibits good fungicidal activities against Rhizoctonia solani, Botrytis cinerea and Dothiorella gregaria. |
| Keywords: | 1 3 4-thiadiazole urea synthesis crystal structure bioactivities Synthesis Bioactivities Structure Crystal Botrytis cinerea Dothiorella gregaria bioassay good fungicidal activities Rhizoctonia solani interactions hydrogen bonds weak nonclassical linked strong analysis molecule nearly |
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