Improved synthesis and crystal structure of 3-(adamantan-1-yl)-5-(ethylsulfanyl)-4-methyl-4 H -1,2,4-triazole, C 15 H 23 N 3 S | Synapse
May 13, 2026Open Access
Improved synthesis and crystal structure of 3-(adamantan-1-yl)-5-(ethylsulfanyl)-4-methyl-4 H -1,2,4-triazole, C 15 H 23 N 3 S
Key Points
This research aims to improve the synthesis process and determine the crystal structure of a novel triazole compound.
Synthesis of 3-(adamantan-1-yl)-5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazole.
Determination of the crystal structure using X-ray diffraction.
Characterization of structural parameters such as unit cell dimensions.
Established the orthorhombic crystal system with a = 10.0075(1) Å, b = 11.8795(1) Å, c = 23.8519(2) Å.
Calculated volume of the unit cell as V = 2835.61(4) ų.
Achieved a residual indicator R_gt (F) = 0.0321 and wR_ref (F²) = 0.0932.
Abstract
Abstract C 15 H 23 N 3 S, orthorhombic, Pbca (no. 61), a = 10.0075(1) Å, b = 11.8795(1) Å, c = 23.8519(2) Å, V = 2835.61(4) Å 3 , Z = 8, R gt ( F ) = 0.0321, wR ref ( F 2 ) = 0.0932, T = 160 K.