Research Article
Synthesis, Crystal Structure, and Fungicidal Activity of 5-(4-cyclopropyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole
Table 1
Crystal structure and data refinement parameters.
| | Empirical formula | C15H14FN5S2 | | Formula weight | 347.43 | | Crystal system/space group | Triclinic, P-1 | |
(Å) | 7.0490(14) | |
(Å) | 9.0212(18) | |
(Å) | 12.799(3) | | /(°) | 89.97(3) | | /(°) | 82.27(3) | | γ/(°) | 73.17(3) | |
(Å3) | 771.3(3) | | 2 | | (g/cm3) | 1.496 | | (mm−1) | 0.3600 | | Crystal size (mm) | 0.18 × 0.12 × 0.10 | | Color/shape | Colorless/cube | | Temp (K) | 113 (2) | | Theta range for collection | 1.6–27.8° | | Reflections collected | 5697 | | Independent reflections | 2719 | | Data/restraints/parameters | 2719/12/219 | | Goodness of fit on | 1.066 | | Final indices [] | , | | indices (all data) | , | | Largest difference peak/hole | 0.242 and −0.295 |
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