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. 2021 Sep 28;77(Pt 10):1043–1047. doi: 10.1107/S2056989021009774

Table 2. Experimental details.

Crystal data
Chemical formula C15H18N4O2
M r 286.33
Crystal system, space group Monoclinic, P21/c
Temperature (K) 293
a, b, c (Å) 14.3158 (6), 8.3972 (3), 13.0871 (4)
β (°) 108.040 (4)
V3) 1495.90 (10)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.5 × 0.4 × 0.06
 
Data collection
Diffractometer Oxford Diffraction Xcalibur3 CCD
Absorption correction Multi-scan (CrysAlis RED; Oxford Diffraction, 2004)
Tmin, Tmax 0.935, 0.988
No. of measured, independent and observed [I > 2σ(I)] reflections 8400, 2632, 1621
R int 0.032
(sin θ/λ)max−1) 0.595
 
Refinement
R[F2 > 2σ(F 2)], wR(F 2), S 0.047, 0.099, 1.05
No. of reflections 2632
No. of parameters 199
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.14, −0.20

Computer programs: CrysAlis CCD and CrysAlis RED (Oxford Diffraction, 2004), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ) and OLEX2 (Dolomanov et al., 2009).