Skip to main content
. 2022 Mar 10;7(Pt 3):x220248. doi: 10.1107/S2414314622002486

Table 2. Experimental details.

Crystal data
Chemical formula C17H15N2 +·BF4
M r 334.12
Crystal system, space group Monoclinic, P21/n
Temperature (K) 200
a, b, c (Å) 11.4260 (5), 9.0735 (3), 15.5434 (5)
β (°) 102.118 (4)
V3) 1575.54 (10)
Z 4
Radiation type Cu Kα
μ (mm−1) 1.00
Crystal size (mm) 0.10 × 0.09 × 0.01
 
Data collection
Diffractometer XtaLAB Synergy, Dualflex, HyPix
Absorption correction Gaussian (CrysAlis PRO; Rigaku OD, 2019)
T min, T max 0.845, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 16394, 2786, 2296
R int 0.023
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.108, 0.378, 1.63
No. of reflections 2786
No. of parameters 240
No. of restraints 30
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.45, −0.24

Computer programs: CrysAlis PRO (Rigaku OD, 2019), SHELXT2018/2 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ), OLEX2 (Dolomanov et al., 2009), and Mercury (Macrae et al., 2020).