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. 2022 Mar 31;78(Pt 4):449–452. doi: 10.1107/S2056989022002973

Table 2. Experimental details.

Crystal data
Chemical formula C16H14N2O
M r 250.29
Crystal system, space group Monoclinic, P21/n
Temperature (K) 123
a, b, c (Å) 5.87685 (19), 7.5999 (3), 28.4578 (11)
β (°) 90.604 (3)
V3) 1270.95 (8)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.30 × 0.20 × 0.10
 
Data collection
Diffractometer Rigaku AFC10 Saturn70 area detector
Absorption correction Multi-scan CrysAlis PRO; Rigaku OD, 2018)
T min, T max 0.608, 0.992
No. of measured, independent and observed [F 2 > 2.0σ(F 2)] reflections 11128, 2907, 2525
R int 0.056
(sin θ/λ)max−1) 0.649
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.049, 0.127, 1.05
No. of reflections 2907
No. of parameters 178
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.39, −0.29

Computer programs: CrysAlis PRO (Rigaku OD, 2018), SIR92 (Altomare et al., 1993), SHELXL2018/3 (Sheldrick, 2015), PLATON (Spek, 2020) and CrystalStructure (Rigaku, 2019).