Skip to main content
. 2018 Aug 10;74(Pt 9):1211–1214. doi: 10.1107/S2056989018010848

Table 2. Experimental details.

Crystal data
Chemical formula C19H18N4O2
M r 334.37
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 13.9787 (9), 21.5654 (12), 11.6625 (8)
β (°) 111.639 (5)
V3) 3268.0 (4)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.57 × 0.43 × 0.30
 
Data collection
Diffractometer Stoe IPDS 2
Absorption correction Integration (X-RED32; Stoe & Cie, 2002)
T min, T max 0.959, 0.988
No. of measured, independent and observed [I > 2σ(I)] reflections 18118, 5769, 3357
R int 0.060
(sin θ/λ)max−1) 0.596
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.045, 0.104, 0.91
No. of reflections 5769
No. of parameters 451
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.29, −0.25

Computer programs: X-AREA and X-RED32 (Stoe & Cie, 2002), ORTEP-3 for Windows and WinGX (Farrugia, 1999), SHELXL2017 (Sheldrick, 2015) and PLATON (Spek, 2009).