Table 2. Experimental details.
Crystal data | |
Chemical formula | C18H16N2O3S |
M r | 340.39 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 293 |
a, b, c (Å) | 11.8865 (6), 5.1298 (3), 28.2942 (14) |
β (°) | 93.667 (4) |
V (Å3) | 1721.72 (16) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 0.21 |
Crystal size (mm) | 0.5 × 0.15 × 0.15 |
Data collection | |
Diffractometer | Rigaku Oxford Diffraction SuperNova, single source at offset/far, Eos |
Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2018 ▸) |
T min, T max | 0.715, 1.000 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 18522, 3533, 2875 |
R int | 0.024 |
(sin θ/λ)max (Å−1) | 0.625 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.043, 0.111, 1.08 |
No. of reflections | 3533 |
No. of parameters | 229 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.15, −0.22 |