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. 2018 Feb 28;74(Pt 3):410–413. doi: 10.1107/S2056989018003043

Table 3. Experimental details.

Crystal data
Chemical formula C19H17N3O
M r 303.22
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 10.5652 (7), 7.9136 (6), 20.8153 (13)
β (°) 118.408 (4)
V3) 1530.77 (19)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.21 × 0.15 × 0.11
 
Data collection
Diffractometer Bruker SMART CCD area detector
Absorption correction Multi-scan (SADABS; Bruker, 2012)
T min, T max 0.785, 0.856
No. of measured, independent and observed [I > 2σ(I)] reflections 17211, 2664, 1087
R int 0.122
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.040, 0.092, 0.73
No. of reflections 2664
No. of parameters 212
No. of restraints 7
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.14, −0.15

Computer programs: SMART and SAINT (Bruker, 2012), SHELXT (Sheldrick, 2015a ), SHELXL2016 (Sheldrick, 2015b ), ORTEP-3 for Windows and WinGX (Farrugia, 2012), Mercury (Macrae et al., 2008) and PLATON (Spek, 2009).