Zy. Zhang et al., ON ACYL THIOSEMICARBAZIDES AND RELATED HE TEROCYCLES .29. CRYSTALLINE-STRUCTURE OF OPHENYL)-1',2',3'-TRIAZOL-4'-YL]-1,3,4-THIODIAZOLE, Huaxue xuebao, 54(11), 1996, pp. 1054-1059
2-(3'-Bromoanilino)-5-[5'-amino-1'-(4 ophenyl)-1',2',3'-triazdl-4'-yl]
-1,3,4-thiodiazole was prepared by 1-[5'-amino-1'-(4 ''-chlorophenyl)
zol-4'-yl]-4-(3'-bromophenyl)-3-thiosemicarbazides with concentrated s
ulfuric acid. The single crystalline structure of the new compound was
determined by X-ray analysis. The crystal is triclinic system, space
group <(P)over bar 1>, with a = 1.1784(2), b = 1.4455(2), c = 1.1353(1
) nm, alpha = 100.68(1), beta = 109.50(1), gamma = 79.89(1)degrees, V
= 1.7779 nm(3), C16H11BrCIN7S, M(r) = 448.75, D-c = 1.673 g/cm(3), Z =
4, mu = 58.16 cm(-1). The final R = 0.084, R(w) = 0.086. This molecul
e is a structure of conjugated pi(-) bond from analyzing the data of t
he bond distance and bond angle.