4-Phenyl-1,2,4-tri-aza-spiro-[4.4]non-1-ene-3-thione.
In the title compound, C12H13N3S, the 4,5-di-hydro-3H-1,2,4-triazole system is nearly planar [maximum deviation = 0.014 (2) Å], while the cyclo-pentane ring adopts a half-chair conformation. The dihedral angle between the mean plane of the 4,5-di-hydro-3H-1,2,4-triazole-3-thione ring and the phenyl ring is 85.49 (14)°, with the S atom 0.046 (1) Å out of the former plane. The crystal structure is stabilized only by van der Waals inter-actions. The investigated crystal was found to be a non-merohedral two-component twin by a 180° rotation about c*, with a refined value of the minor twin fraction of 0.12203 (18).
Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
Joel T
JT
Mague
Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
Shaaban K
SK
Mohamed
Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
Mehmet
M
Akkurt
Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
Alaa A
AA
Hassan
Kirkuk University, College of Science, Department of Chemistry, Kirkuk, Iraq.
Mustafa R
MR
Albayati