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. 2020 May 5;76(Pt 6):798–802. doi: 10.1107/S2056989020005939

Table 4. Experimental details.

Crystal data
Chemical formula C17H14N2O
M r 262.30
Crystal system, space group Monoclinic, P21/c
Temperature (K) 293
a, b, c (Å) 9.0710 (4), 12.0526 (7), 24.6120 (11)
β (°) 95.999 (4)
V3) 2676.1 (2)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.60 × 0.35 × 0.05
 
Data collection
Diffractometer Rigaku XtaLAB PRO
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2018)
T min, T max 0.212, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 29344, 6395, 4554
R int 0.042
(sin θ/λ)max−1) 0.690
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.046, 0.120, 1.03
No. of reflections 6395
No. of parameters 379
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.19, −0.21

Computer programs: CrysAlis PRO (Rigaku OD, 2018), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ) and ORTEP-3 for Windows (Farrugia, 2012).