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. 2020 Apr 30;76(Pt 5):756–760. doi: 10.1107/S2056989020005848

Table 2. Experimental details.

Crystal data
Chemical formula C19H17ClN4O2
M r 368.82
Crystal system, space group Monoclinic, P21/n
Temperature (K) 293
a, b, c (Å) 10.5673 (4), 8.0182 (3), 21.2318 (10)
β (°) 95.282 (4)
V3) 1791.35 (13)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.24
Crystal size (mm) 0.5 × 0.08 × 0.07
 
Data collection
Diffractometer Oxford Diffraction Xcalibur3 CCD
Absorption correction Multi-scan (CrysAlis RED; Oxford Diffraction, 2005)
T min, T max 0.890, 0.982
No. of measured, independent and observed [I > 2σ(I)] reflections 10913, 3475, 1534
R int 0.046
(sin θ/λ)max−1) 0.617
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.040, 0.053, 1.05
No. of reflections 3475
No. of parameters 236
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.14, −0.19

Computer programs: CrysAlis PRO (Oxford Diffraction, 2005), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ) and OLEX2 (Dolomanov et al., 2009).