Skip to main content
. 2019 Feb 22;75(Pt 3):392–396. doi: 10.1107/S205698901900241X

Table 4. Experimental details.

Crystal data
Chemical formula C16H18N2O3
M r 286.32
Crystal system, space group Monoclinic, P21/n
Temperature (K) 120
a, b, c (Å) 7.4069 (9), 8.1959 (10), 24.133 (3)
β (°) 90.295 (2)
V3) 1465.0 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.09
Crystal size (mm) 0.37 × 0.29 × 0.24
 
Data collection
Diffractometer Bruker SMART APEX CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.91, 0.98
No. of measured, independent and observed [I > 2σ(I)] reflections 27503, 3966, 3354
R int 0.028
(sin θ/λ)max−1) 0.688
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.041, 0.120, 1.09
No. of reflections 3966
No. of parameters 192
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.43, −0.16

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012), DIAMOND (Brandenburg, 2006) and publCIF (Westrip, 2010).