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. 2023 Jul 14;8(Pt 7):x230599. doi: 10.1107/S2414314623005990

Table 2. Experimental details.

Crystal data
Chemical formula C15H15NO2
M r 241.28
Crystal system, space group Monoclinic, P21/c
Temperature (K) 293
a, b, c (Å) 9.6678 (8), 10.9294 (11), 11.7231 (8)
β (°) 93.395 (7)
V3) 1236.53 (18)
Z 4
Radiation type Cu Kα
μ (mm−1) 0.69
Crystal size (mm) 0.08 × 0.04 × 0.02
 
Data collection
Diffractometer SuperNova, Dual, Cu at zero, Eos
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2015)
T min, T max 0.919, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 4437, 2285, 1828
R int 0.019
(sin θ/λ)max−1) 0.609
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.045, 0.131, 1.04
No. of reflections 2285
No. of parameters 166
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.25, −0.20

Computer programs: CrysAlis PRO (Rigaku OD, 2015), SHELXS (Sheldrick, 2008), SHELXL (Sheldrick, 2015), OLEX2 (Dolomanov et al., 2009) and Mercury (Macrae et al., 2020).