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. 2015 May 30;71(Pt 6):720–722. doi: 10.1107/S2056989015010002

Table 2. Experimental details.

Crystal data
Chemical formula C20H18ClNO2
M r 339.80
Crystal system, space group Monoclinic, P21/n
Temperature (K) 292
a, b, c () 9.5867(5), 15.9077(8), 10.8902(6)
() 94.787(1)
V (3) 1654.99(15)
Z 4
Radiation type Mo K
(mm1) 0.24
Crystal size (mm) 0.20 0.18 0.16
 
Data collection
Diffractometer Bruker SMART APEX CCD area detector
No. of measured, independent and observed [I > 2(I)] reflections 19078, 3944, 3313
R int 0.026
(sin /)max (1) 0.661
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.044, 0.127, 1.02
No. of reflections 3944
No. of parameters 219
H-atom treatment H-atom parameters constrained
max, min (e 3) 0.30, 0.23

Computer programs: SMART and SAINT (Bruker, 2001), SHELXS1997 (Sheldrick, 2008), SHELXL2013 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009).