Crystal structure of 4-[(E)-(4-fluoro­benzyl­idene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

Manjula P.S.; Sarojini B.K.; Narayana B.; Byrappa K.; Madan Kumar S.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

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Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

机译：4-[（（E）-（4-氟亚苄基）氨基] -3-甲基-1H-1,2,4-三唑-5（4H）-硫酮的晶体结构

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The title compound, C10H9FN4S, crystallizes with two molecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in molecule A and 41.1 (3)° in molecule B. Molecule A features an intramolecular C—H⋯S hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N—H⋯S hydrogen bonds occur, generating R22(8) loops. Weak π–π stacking contacts [centroid–centroid separation = 3.739 (6) Å] are also observed.

机译：标题化合物C10H9FN4S在不对称单元中以两个分子（A和B）结晶。三唑和氟苯环平面之间的二面角在分子A中为7.3（3）°，在分子B中为41.1（3）°。分子A具有分子内C–H⋯S氢键，该氢键封闭S（6 ）响。在晶体中，发生由NHS氢键对连接的A + B二聚体，从而生成R22（8）环。还观察到了较弱的π-π堆积接触[质心-质心间距= 3.739（6）Å]。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2015年第12期|共页
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Manjula P.S.; Sarojini B.K.; Narayana B.; Byrappa K.; Madan Kumar S.;
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中图分类晶体学;
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CRYSTAL STRUCTURE1,2,4-TRIAZOLE-5(4H)-THIONEFLUOROBENZENEC-H...S HYDROGEN BONDN-H...S HYDROGEN BONDPI-PI STACKING CONTACTS;

机译：晶体结构1,2,4-三唑-5（4H）-亚硫杂苯-H ... S氢键-H ... S氢键[PI]-[PI]堆积接触;

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1. 4-[(E)-(4-Chlorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione [J] . Anderson B.J., Jasinski J.P., Kaur M., Acta Crystallographica Section E: Crystallographic Communications . 2014,第1期

机译：4-[（（E）-（4-氯亚苄基）氨基] -3-甲基-1H-1,2,4-三唑-5（4H）-硫酮
2. 4-[(E)-(4-Chlorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione [J] . Anderson B.J., Jasinski J.P., Kaur M., Acta Crystallographica Section E: Crystallographic Communications . 2014,第1期

机译：4-[（（E）-（4-氯亚苄基）氨基] -3-甲基-1H-1,2,4-三唑-5（4H）-硫酮
3. 4-(5-Bromo-2-hydroxybenzylideneamino)-3-methyl-1H-1,2,4-triazole-5(4H)-thione [J] . Cao M., Cheng C.X., Hu B., Acta Crystallographica Section E: Crystallographic Communications . 2008,第2期

机译：4-（5-溴-2-羟基苄亚氨基）-3-甲基-1H-1,2,4-三唑-5（4H）-硫酮
4. Synthesis and structure of 4-(4-amino-5-thioxo-4,5-dihydro- 1H-1,2,4-triazol-3-yl-methylene)-2-phenyl-1H-imidazol-5(4H)-one [C] . Nasrin Nami, Navabeh Nami, Olga Kovalchukova, Seminar on New Trends in Research of Energetic Materials . 2013

机译：4-（4-氨基-5-硫代-4,5-二氢-1H-1,2,4-三唑-3-基亚甲基）-2-苯基-1H-咪唑-5（4H）的合成与结构-一
5. Analysis of Defect Structures in 4H Silicon Carbide Bulk Crystals, Epitaxial Layers and Power Devices [D] . Guo, Jianqiu. 2018

机译：4H碳化硅散装晶体，外延层和功率装置的缺陷结构分析
6. 4-[(E)-(4-Fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione [O] . H. C. Devarajegowda, S. Jeyaseelan, R. Sathishkumar, 2015

机译：4-[（E）-（4-氟代苄基亚甲基）氨基] -3-甲基-1H-1,2,4-三唑-5（4H）-硫酮
7. The crystal structures of three 3-methyl-1H-1,2,4-triazole-5-thiones, including a second polymorph of 4-[(E)-(5-bromo-2-hydroxybenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione and a redetermination of 4-amino-3-methyl-1H-1,2,4-triazole-5(4H)-thione [O] . Manjula, P. S., Sarojini, B. K., Yathirajan, H. S., 2015

机译：三种3-甲基-1H-1,2,4-三唑-5-硫酮的晶体结构，包括4-[（（E）-（5-溴-2-羟基亚苄基）氨基] -3-甲基的第二个多晶型物-1H-1,2,4-三唑-5（4H）-硫酮和4-氨基-3-甲基-1H-1,1,2,4-三唑-5（4H）-硫酮的重新测定

Crystal structure of 4-[(E)-(4-fluoro­benzyl­idene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

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Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione