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. 2014 Oct 24;70(Pt 11):379–381. doi: 10.1107/S1600536814023009

Table 2. Experimental details.

Crystal data
Chemical formula C10H14N2O3
M r 210.23
Crystal system, space group Monoclinic, P21/c
Temperature (K) 173
a, b, c () 11.3545(3), 18.1097(5), 10.4689(3)
() 100.119(2)
V (3) 2119.20(10)
Z 8
Radiation type Mo K
(mm1) 0.10
Crystal size (mm) 0.35 0.25 0.01
 
Data collection
Diffractometer Nonius KappaCCD
No. of measured, independent and observed [I > 2(I)] reflections 10741, 6174, 3235
R int 0.068
(sin /)max (1) 0.705
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.069, 0.158, 1.01
No. of reflections 6174
No. of parameters 287
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.28, 0.29

Computer programs: KappaCCD Server Software (Nonius, 1997), HKL DENZO SCALEPACK (Otwinowski Minor, 1997), SIR2011 (Burla et al., 2012), ORTEP-3 for Windows (Farrugia, 2012), SHELXL97 (Sheldrick, 2008), PLATON (Spek, 2009) and publCIF (Westrip, 2010).