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. 2015 Jan 1;71(Pt 1):94–96. doi: 10.1107/S2056989014026899

Table 2. Experimental details.

Crystal data
Chemical formula C20H19N3O2
M r 333.38
Crystal system, space group Monoclinic, P21/n
Temperature (K) 296
a, b, c () 11.8549(4), 11.6070(5), 13.1591(5)
() 107.425(3)
V (3) 1727.60(12)
Z 4
Radiation type Mo K
(mm1) 0.09
Crystal size (mm) 0.80 0.57 0.10
 
Data collection
Diffractometer Stoe IPDS 2
Absorption correction Integration (X-RED32; Stoe Cie, 2002)
T min, T max 0.935, 0.991
No. of measured, independent and observed [I > 2(I)] reflections 25592, 3584, 2772
R int 0.056
(sin /)max (1) 0.628
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.050, 0.126, 1.07
No. of reflections 3584
No. of parameters 231
No. of restraints 1
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.17, 0.16

Computer programs: X-AREA and X-RED32 (Stoe Cie, 2002), SHELXS97 and SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows and WinGX (Farrugia, 2012) and PLATON (Spek, 2009).