Crystal structure of 4-cyclohexyl-5- (thiophen-2-yl) -2, 4-dihydro-3 H-1, 2, 4-triazole-3-thione, C₁2H₁5N₃S₂

Key Points

• The aim is to elucidate the crystal structure of a new triazole compound, 4-cyclohexyl-5-(thiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione.
• Conducted X-ray diffraction to determine crystal parameters
• Utilized monoclinic structure analysis
• Measured at a temperature of 160 K
• Characterized molecular geometry and arrangement
• Determined that the crystal belongs to the monoclinic space group P21/n
• Identified unit cell parameters: a = 5.51310 Å, b = 15.4525 Å, c = 15.9261 Å, β = 99.844°
• Volume of the unit cell calculated as V = 1336.79 ų
• Obtained reliability factors: R(gt)(F) = 0.0359, wR(ref)(F²) = 0.1009