Parameters | |
---|---|
Empirical formula | C17H16ClN3O2S |
Formula weight | 361.84 |
Crystal system, space group | Triclinic, P-1 |
Unit cell dimensions | |
a, b, c Å | 9.1136 (3), 12.7475 (5), 15.6198 (6) |
α, γ, β ° | 67.0300 (10), 81.2960 (10), 79.0530 (10) |
Volume Å3 | 1634.36 (11) Å3 |
Z | 4 |
Density (calculated) (Mg m−3) | 1.471 |
Absorption coefficient (mm−1) | 0.38 |
Crystal size (mm) | 0.42 × 0.16 × 0.15 |
θ range for data collection | 2.3–25.3 |
Reflections collected | 37,028 |
Independent reflections | 7138 |
Final [I > 2σ(I)] | 0.064 |
R indices (all data) CCDC | 0.0635 1,532,937 |