期刊文献+

Synthesis and Crystal Structure of 9-Amino-7-(2-chlorophenyl)-6H-benzo[c]thiochromene-8,8,10(7H)-tricarbonitrile DMF Solvate

Synthesis and Crystal Structure of 9-Amino-7-(2-chlorophenyl)-6H-benzo[c]thiochromene-8,8,10(7H)-tricarbonitrile DMF Solvate
下载PDF
导出
摘要 The title compound 9-amino-7-(2-chlorophenyl)-6H-benzo[c]thiochromene-8,8,10(7H)-tricarbonitrile DMF solvate(C25H20ClN5OS,Mr = 473.97) was synthesized and crystallized.The crystal belongs to triclinic,space group P1 with a = 7.6393(2),b = 10.5212(3),c = 15.0573(4) ,α = 86.797(1),β = 79.445(1),γ = 75.379(1)°,Z = 2,V = 1151.16(5) 3,Dc = 1.367 g.cm-3,μ(MoKα) = 0.285 mm-1,F(000) = 492,R = 0.0389 and wR = 0.1005 for 3455 observed reflections(I 2σ(I)).X-ray analysis reveals that the new six-numbered ring(C(1)-C(6)) forms a skew boat conformation.The molecule links a molecule of DMF via the N(1)-H(1A)...O(1) hydrogen bond,while another hydrogen bond C(23)-H(23A)...N(2) links adjacent molecules,forming dimmers along the a axis. The title compound 9-amino-7-(2-chlorophenyl)-6H-benzo[c]thiochromene-8,8,10(7H)-tricarbonitrile DMF solvate(C25H20ClN5OS,Mr = 473.97) was synthesized and crystallized.The crystal belongs to triclinic,space group P1 with a = 7.6393(2),b = 10.5212(3),c = 15.0573(4) ,α = 86.797(1),β = 79.445(1),γ = 75.379(1)°,Z = 2,V = 1151.16(5) 3,Dc = 1.367 g.cm-3,μ(MoKα) = 0.285 mm-1,F(000) = 492,R = 0.0389 and wR = 0.1005 for 3455 observed reflections(I 2σ(I)).X-ray analysis reveals that the new six-numbered ring(C(1)-C(6)) forms a skew boat conformation.The molecule links a molecule of DMF via the N(1)-H(1A)...O(1) hydrogen bond,while another hydrogen bond C(23)-H(23A)...N(2) links adjacent molecules,forming dimmers along the a axis.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第1期100-104,共5页 结构化学(英文)
基金 supported by the Priority Academic Program Development of Jiangsu Higher Education Institutions and Qing Lan Project (08QLT001,10QLD008) of Jiangsu Education Committee
关键词 crystal structure CHROMENE NMR hydrogen bond crystal structure chromene NMR hydrogen bond
  • 相关文献

参考文献2

二级参考文献7

  • 1Villemin, D. J. Chem. Soc. Chem. Commun. 1983, 19, 1092-1093.
  • 2Yamawaki, J.; Kawate, T.; Audo, T.; Hanafusa, T. Bull. Chem. Soc. Jpn. 1983, 56, 1885-1886.
  • 3Cabello, J. A.; Campelo, J. M.; Garcia, A.; Luna, D.; Marinas, J. M. J. Org. Chem. 1984, 49, 5195-5197.
  • 4Gao, Y.; Shi, D. Q.; Zhou, L. H.; Dai, G. Y. Organic Chemistry 1996, 13, 548-551.
  • 5Shi, D. Q.; Lu, Z. S.; Wang, S. H.; Tu, S. J.; Dai, G. Y. Synth. Commun. 1998, 28, 4003-4006.
  • 6Shi, D. Q.; Tu, S. J.; Lu, Z. S.; Wang, S. H.; Dai, G. Y. Synth. Commun. 1998, 28, 3291-3298.
  • 7Bartell, L. S.; Roth, E. A.; Hollowed, C. D. J. Chem. Phys. 1965, 42, 2683-2686.

共引文献2

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