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. 2025 Jun 27;81(Pt 7):650–656. doi: 10.1107/S2056989025005547

Table 3. Experimental details.

Crystal data
Chemical formula C19H14N2O3
M r 318.32
Crystal system, space group Orthorhombic, Pbca
Temperature (K) 299
a, b, c (Å) 7.7810 (6), 15.6978 (11), 25.966 (2)
V3) 3171.6 (4)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.26 × 0.22 × 0.19
 
Data collection
Diffractometer Bruker D8 VENTURE PHOTON 3 CPAD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
Tmin, Tmax 0.719, 0.745
No. of measured, independent and observed [I > 2σ(I)] reflections 78015, 3234, 2897
R int 0.041
(sin θ/λ)max−1) 0.625
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.049, 0.136, 1.05
No. of reflections 3234
No. of parameters 218
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.25, −0.21

Computer programs: APEX4 (Bruker, 2019), SAINT (Bruker, 2016), SHELXT2018/2 (Sheldrick, 2015a), SHELXL2019/1 (Sheldrick, 2015b), DIAMOND (Brandenburg, 1999) and WinGX (Farrugia, 2012).