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. 2022 Mar 29;7(Pt 3):x220283. doi: 10.1107/S2414314622002838

Table 2. Experimental details.

Crystal data
Chemical formula C21H18N2O
M r 314.37
Crystal system, space group Monoclinic, C2/c
Temperature (K) 293
a, b, c (Å) 30.3989 (15), 8.7177 (5), 14.0581 (7)
β (°) 115.367 (2)
V3) 3366.3 (3)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.20 × 0.20 × 0.18
 
Data collection
Diffractometer Bruker SMART APEXII CCD
Absorption correction
No. of measured, independent and observed [I > 2σ(I)] reflections 22457, 2948, 2557
R int 0.048
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.044, 0.126, 1.07
No. of reflections 2948
No. of parameters 219
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.16, −0.18

Computer programs: APEX2 and SAINT (Bruker, 2009), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012), Mercury (Macrae et al., 2020) and PLATON (Spek, 2020).