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. 2026 May 7;82(Pt 6):588–595. doi: 10.1107/S2056989026004068

Table 3. Experimental details.

Crystal data
Chemical formula C11H13NO2
M r 191.22
Crystal system, space group Monoclinic, P21/c
Temperature (K) 295
a, b, c (Å) 10.109 (1), 8.2598 (8), 12.2074 (13)
β (°) 92.539 (4)
V (Å3) 1018.30 (18)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.39 × 0.32 × 0.09
 
Data collection
Diffractometer Bruker SMART X2S
Absorption correction Multi-scan (SADABS; Bruker, 2004 ▸)
No. of measured, independent and observed [I > 2σ(I)] reflections 12414, 2304, 1661
R int 0.037
(sin θ/λ)max (Å−1) 0.649
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.043, 0.131, 1.05
No. of reflections 2304
No. of parameters 135
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.16, −0.17

Computer programs: XPREP (Bruker, 2004 ▸), SAINT (Bruker, 2004 ▸) and SHELXL2019 (Lübben et al., 2019 ▸).