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. 2019 Apr 16;75(Pt 5):638–641. doi: 10.1107/S2056989019004894

Table 2. Experimental details.

Crystal data
Chemical formula C19H16N4O
M r 316.36
Crystal system, space group Monoclinic, P21/n
Temperature (K) 150
a, b, c (Å) 6.5227 (3), 7.8979 (4), 30.7774 (15)
β (°) 95.389 (2)
V3) 1578.51 (13)
Z 4
Radiation type Cu Kα
μ (mm−1) 0.69
Crystal size (mm) 0.30 × 0.24 × 0.04
 
Data collection
Diffractometer Bruker D8 VENTURE PHOTON 100 CMOS
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.85, 0.98
No. of measured, independent and observed [I > 2σ(I)] reflections 11542, 3069, 2613
R int 0.035
(sin θ/λ)max−1) 0.617
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.039, 0.091, 1.06
No. of reflections 3069
No. of parameters 282
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.19, −0.18

Computer programs: APEX3 and SAINT (Bruker, 2016), SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL2018 (Sheldrick, 2015b ), DIAMOND (Brandenburg & Putz, 2012) and SHELXTL (Sheldrick, 2008).