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. 2021 Nov 12;77(Pt 12):1280–1284. doi: 10.1107/S2056989021011749

Table 3. Experimental details.

Crystal data
Chemical formula C16H14N2O2
M r 266.29
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 8.8644 (4), 19.9222 (8), 8.1736 (3)
β (°) 107.240 (1)
V3) 1378.59 (10)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.40 × 0.21 × 0.06
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2003)
T min, T max 0.684, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 22343, 4176, 2332
R int 0.058
(sin θ/λ)max−1) 0.714
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.062, 0.146, 1.04
No. of reflections 4176
No. of parameters 188
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.15, −0.14

Computer programs: APEX2 (Bruker, 2003), SAINT (Bruker, 2003), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012), PLATON (Spek, 2020).