Skip to main content
. 2021 Apr 27;77(Pt 5):564–568. doi: 10.1107/S2056989021004308

Table 3. Experimental details.

Crystal data
Chemical formula C17H13NO3
M r 279.28
Crystal system, space group Monoclinic, C2/c
Temperature (K) 293
a, b, c (Å) 20.3883 (6), 7.5925 (2), 17.9858 (5)
β (°) 95.791 (1)
V3) 2769.96 (13)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.32 × 0.23 × 0.10
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2009)
T min, T max 0.98, 0.99
No. of measured, independent and observed [I > 2σ(I)] reflections 35544, 2495, 1548
R int 0.12
(sin θ/λ)max−1) 0.600
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.057, 0.101, 1.00
No. of reflections 2495
No. of parameters 190
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.09, −0.16

Computer programs: APEX2 and SAINT (Bruker, 2009), SIR92 (Altomare et al., 1994), SHELXL2018/3 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae et al., 2020) and WinGX publication routines (Farrugia, 2012).