Studies on Condensed Heterocyclic Compounds (Ⅻ) ——Synthesis and Crystal Structure of 3(1-Naphthylmethylene)- 6-hexyl-s-triazolo[3,4-b]-1,3,4-thiadiazole
ZHANG Zi-Yi, LI Ming, ZHAO Lan, WANG Hong-Gen, WANG Ru-Ji, LI Zheng-Ming, LIAO Ren-An
1993, 14(7):
947-950.
Asbtract
(
)
PDF (322KB)
(
)
Related Articles |
Metrics
3(1-Naphthylmethylene)-6-hexye-s-triazolo[3,4-b]-1,3,4-thiadiazole was synthesized by condensation of 3(1-naphthyl-methylene)-4-amino-5-mercapto-1,2,4-triazoIe with n-heptanoic acid in the medium of phosphorus oxychloride.The single crystal structure of this new compound was determined by X-ray analysis.The crystal belongs to monoclinic system with a space group C2/C, a=2.8680(6) nm, 6=0.8356(2) nm, c=1.6578(3) nm, β=114.19(2)°, V=3.624 nm3, M=350.49, Z=8, Dx=1.29 g/cm3, U=1.80 cm-1, F(000)=744, R=0.071.The most important information obtained from analyzing the crystal structure is that, in comparision with normal N-N, C-Nand C-S, each of the single bond lengthes of N(23)-N(24), C(22)-N(26) and C(25)-Sin this compound is smaller than the normal bond length, but those for all C=Nbond show remarkable lengthening effect of 0.003 nm(2.3%).All the above results indicate that the s-triazolo [3,4-b]-1,3,4-thiadiazole is planar, confirming the atom character of 10-π electron system.