Crystal structure of 5-methyl-N-phenyl-1,3,4-thiadiazole-2-amine.

Chumakov, Yu.; Tsapkov, V.; Antosyak, B.; Gulya, A.; Palomares-Sanches, S.

The crystal structure of 5-methyl-N-phenyl-1,3,4-thiadiazole-2-amine (I) is determined. The molecule of compound I is non-planar; the mean square plane of its phenyl cycle is located at an angle of 22.8° with respect to the planar thiadiazole fragment. The studied compound forms infinite chains in the crystal due to the translation along a, in which the molecules are bound by N-H...N and C-H...N bonds. Along with the van der Waals interaction, there is also a X-H...Cg (π ring) interaction between the chains in the crystal.

THIADIAZOLES; MOLECULAR structure; CHEMICAL bonds; PYRUVIC acid; VAN der Waals forces; THIOSEMICARBAZONES; MOLECULES

Journal of Structural Chemistry, 2011, Vol 52, Issue 4, p831

0022-4766

Academic Journal

10.1134/S0022476611040317