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. 2026 Apr 29;82(Pt 5):516–520. doi: 10.1107/S2056989026003798

Table 2. Experimental details.

Crystal data
Chemical formula C15H10N2O3
M r 266.25
Crystal system, space group Triclinic, PInline graphic
Temperature (K) 299
a, b, c (Å) 5.731 (2), 7.668 (3), 13.911 (5)
α, β, γ (°) 103.199 (14), 93.059 (11), 94.332 (10)
V (Å3) 591.8 (4)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.11
Crystal size (mm) 0.32 × 0.27 × 0.24
 
Data collection
Diffractometer Bruker SMART APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015 ▸)
Tmin, Tmax 0.964, 0.973
No. of measured, independent and observed [I > 2σ(I)] reflections 8155, 3181, 2263
R int 0.034
(sin θ/λ)max (Å−1) 0.697
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.071, 0.184, 1.02
No. of reflections 3181
No. of parameters 181
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.35, −0.22

Computer programs: APEX2 and SAINT (Bruker, 2017 ▸), SHELXT2018/3 (Sheldrick, 2015a ▸), SHELXL2019/3 (Sheldrick, 2015b ▸), Mercury (Macrae et al., 2020 ▸) and publCIF (Westrip, 2010 ▸).