期刊文献+

Syntheses and Crystal Structures of 1,5-Disubstituted 1,3,5-Hexahydro-triazine-2-(N-nitro)imines

Syntheses and Crystal Structures of 1,5-Disubstituted 1,3,5-Hexahydro-triazine-2-(N-nitro)imines
下载PDF
导出
摘要 The title compounds,C9H13ClN6O2S 1 and C15H17ClN6O2S 2,were synthesized and structurally characterized by elemental analysis,IR,1H NMR spectra and single-crystal X-ray diffraction.Compound 1 is in the monoclinic system,space group P21/c with a=13.7711(5),b=10.3883(4),c=9.7623(2),V=1344.47(8)3,Dc=1.506 g/cm3,C9H13ClN6O2S,Mr=304.76,F(000)=632,μ=0.448 mm-1,Z=4,S=1.084,R=0.0497 and wR=0.1328 for 2640 unique reflections(Rint=0.0787) with 2089 observed ones(I2σ(I)).Compound 2 belongs to the monoclinic system,space group P21/n with a=8.3828(5),b=14.5285(7),c=14.2456(4),V=1729.74(14)3,Dc=1.462 g/cm3,C15H17ClN6O2S,Mr=380.86,F(000)=792,μ=0.364 mm-1,Z=4,S=1.057,R=0.0598 and wR=0.1582 for 3384 unique reflections(Rint=0.0469) with 2833 observed ones(I2σ(I)).Compounds 1 and 2 are homologues and stabilized by intermolecular and intramolecular hydrogen bonds.Moreover,compound 2 containing C(2)–H(2)…π(thiazole) interaction is more stable than 1. The title compounds,C9H13ClN6O2S 1 and C15H17ClN6O2S 2,were synthesized and structurally characterized by elemental analysis,IR,1H NMR spectra and single-crystal X-ray diffraction.Compound 1 is in the monoclinic system,space group P21/c with a=13.7711(5),b=10.3883(4),c=9.7623(2),V=1344.47(8)3,Dc=1.506 g/cm3,C9H13ClN6O2S,Mr=304.76,F(000)=632,μ=0.448 mm-1,Z=4,S=1.084,R=0.0497 and wR=0.1328 for 2640 unique reflections(Rint=0.0787) with 2089 observed ones(I2σ(I)).Compound 2 belongs to the monoclinic system,space group P21/n with a=8.3828(5),b=14.5285(7),c=14.2456(4),V=1729.74(14)3,Dc=1.462 g/cm3,C15H17ClN6O2S,Mr=380.86,F(000)=792,μ=0.364 mm-1,Z=4,S=1.057,R=0.0598 and wR=0.1582 for 3384 unique reflections(Rint=0.0469) with 2833 observed ones(I2σ(I)).Compounds 1 and 2 are homologues and stabilized by intermolecular and intramolecular hydrogen bonds.Moreover,compound 2 containing C(2)–H(2)…π(thiazole) interaction is more stable than 1.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第3期400-406,共7页 结构化学(英文)
基金 Supported by the NNSFC (No 20672073) Shanghai Key Laboratory of Thulium Functional Materials (07d222303)
关键词 synthesis TRIAZINE crystal structure hydrogen bond C–H…π interaction synthesis triazine crystal structure hydrogen bond C–H…π interaction
  • 相关文献

参考文献17

  • 1Yang, J. C.; Li, M.; Chai, B. S.; Liu, C. L. Agrochemicals 2007, 46, 433--438 (in Chinese).
  • 2Liu, L. L.; Li, J. H. Shandong Chemical Industry 2003, 32, 11-16 (in Chinese).
  • 3Yin, P.; Bai, Y. L. World Pesticides 2003, 25, 4 (in Chinese).
  • 4Shao, X. S.; Tian, Z. Z.; Li, Z. Chinese Journal of Pesticide Science 2008, 10, 117-126 (in Chinese).
  • 5Motohiro, T.; John E. C. Toxicology andApplied Pharmacology 2000, 169, 114-120.
  • 6Peter, M.; Hanspeter, H. Pest Manag. Sci. 2001, 57, 165-176.
  • 7Takeo, W.; Katsutoshi, K. Pest Manag. Sci. 2003, 59, 1016-1022.
  • 8Bikash Debnath, Shovanlal Gayen, Anindya Basu, Balaram Ghosh. Bioorganic & Medicinal Chemistry 2004, 12, 6137-6145.
  • 9Tian, Z. Z.; Shao, X. S.; Li, Z.; Qian, X. H.J. Agric. Food Chem. 2007, 55, 2288-2292.
  • 10Zhang, A. G.; Hartmut, K.; Peter, M.; John, E. C. J. Neurochem. 2000, 75, 3.

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部