Skip to main content
. 2020 Apr 24;76(Pt 5):724–727. doi: 10.1107/S2056989020005344

Table 2. Experimental details.

Crystal data
Chemical formula C21H15N2 +·C7H5O2
M r 416.46
Crystal system, space group Monoclinic, P21/n
Temperature (K) 100
a, b, c (Å) 9.4693 (4), 8.7384 (3), 24.5049 (9)
β (°) 91.792 (1)
V3) 2026.70 (13)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.39 × 0.28 × 0.17
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.708, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 25446, 3979, 3269
R int 0.046
(sin θ/λ)max−1) 0.617
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.041, 0.104, 1.10
No. of reflections 3979
No. of parameters 289
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.23, −0.33

Computer programs: APEX2 and SAINT (Bruker, 2016), SHELXT2018/3 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ), Mercury (Macrae et al., 2020), WinGX (Farrugia, 2012) and PLATON (Spek, 2020).