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. 2021 Aug 6;77(Pt 9):907–911. doi: 10.1107/S2056989021007891

Table 3. Experimental details.

Crystal data
Chemical formula C15H12N2O3
M r 268.27
Crystal system, space group Monoclinic, C2/c
Temperature (K) 296
a, b, c (Å) 17.436 (2), 7.2485 (7), 20.595 (2)
β (°) 99.181 (4)
V3) 2569.6 (5)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.10
Crystal size (mm) 0.49 × 0.15 × 0.06
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
Tmin, Tmax 0.629, 0.745
No. of measured, independent and observed [I > 2σ(I)] reflections 12800, 2427, 1463
R int 0.085
(sin θ/λ)max−1) 0.616
 
Refinement
R[F2 > 2σ(F 2)], wR(F 2), S 0.073, 0.152, 1.01
No. of reflections 2427
No. of parameters 187
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.18, −0.18

Computer programs: APEX3 and SAINT (Bruker, 2017), SHELXS (Sheldrick, 2008), SHELXL (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2020).