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. 2020 Apr 17;76(Pt 5):668–672. doi: 10.1107/S2056989020005071

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)
V3) 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−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

Computer programs: CrysAlis PRO (Rigaku OD, 2018), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ) and OLEX2 (Dolomanov et al., 2009).