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. 2020 Apr 3;76(Pt 5):605–610. doi: 10.1107/S2056989020004284

Table 5. Experimental details.

Crystal data
Chemical formula C18H16N2O2
M r 292.33
Crystal system, space group Orthorhombic, P b c a
Temperature (K) 293
a, b, c (Å) 12.7245 (7), 9.5887 (6), 23.7276 (14)
V3) 2895.0 (3)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.52 × 0.10 × 0.04
 
Data collection
Diffractometer Rigaku XtaLAB PRO
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2018)
T min, T max 0.390, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 16885, 3499, 2640
R int 0.036
(sin θ/λ)max−1) 0.682
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.045, 0.118, 1.04
No. of reflections 3496
No. of parameters 207
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.20, −0.21

Computer programs: CrysAlis PRO (Rigaku OD, 2018), SHELXT (Sheldrick, 2015a ) and SHELXL2018/3 (Sheldrick, 2015b ).