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. 2018 Nov 30;74(Pt 12):1913–1918. doi: 10.1107/S2056989018016651

Table 3. Experimental details.

  (I) (II)
Crystal data
Chemical formula C19H23N3O C19H24N4
M r 309.40 308.42
Crystal system, space group Monoclinic, P21/c Monoclinic, C2/c
Temperature (K) 296 296
a, b, c (Å) 9.2357 (7), 15.6388 (12), 11.984 (1) 34.9185 (14), 8.4656 (5), 11.8361 (6)
β (°) 93.998 (3) 91.061 (5)
V3) 1726.7 (2) 3498.2 (3)
Z 4 8
Radiation type Mo Kα Mo Kα
μ (mm−1) 0.08 0.07
Crystal size (mm) 0.15 × 0.15 × 0.10 0.15 × 0.10 × 0.10
 
Data collection
Diffractometer Bruker Kappa APEXII CCD Bruker Kappa APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2016) Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.552, 0.746 0.697, 0.745
No. of measured, independent and observed [I > 2σ(I)] reflections 16458, 3208, 2109 32313, 3259, 1834
R int 0.044 0.071
(sin θ/λ)max−1) 0.606 0.606
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.047, 0.119, 1.03 0.049, 0.159, 1.02
No. of reflections 3208 3259
No. of parameters 218 218
H-atom treatment H atoms treated by a mixture of independent and constrained refinement H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.15, −0.13 0.22, −0.18

Computer programs: APEX2, SAINT and XPREP (Bruker, 2016), SHELXT2014 (Sheldrick, 2015a ), SHELXL2018 (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012), Mercury (Macrae et al., 2008), PLATON (Spek, 2009) and publCIF (Westrip, 2010).