Table 2. Experimental details.
Crystal data | |
Chemical formula | C13H12O2S2 |
M r | 264.35 |
Crystal system, space group | Triclinic, P
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Temperature (K) | 293 |
a, b, c (Å) | 7.806 (4), 8.263 (3), 10.414 (6) |
α, β, γ (°) | 97.260 (11), 109.65 (2), 93.79 (2) |
V (Å3) | 623.3 (5) |
Z | 2 |
Radiation type | Mo Kα |
μ (mm−1) | 0.41 |
Crystal size (mm) | 0.30 × 0.26 × 0.20 |
Data collection | |
Diffractometer | Bruker APEX |
No. of measured, independent and observed [I > 2σ(I)] reflections | 2924, 2165, 1899 |
R int | 0.109 |
(sin θ/λ)max (Å−1) | 0.595 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.046, 0.128, 1.09 |
No. of reflections | 2165 |
No. of parameters | 157 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.37, −0.33 |