Skip to main content
. 2015 May 13;71(Pt 6):606–608. doi: 10.1107/S2056989015008750

Table 2. Experimental details.

Crystal data
Chemical formula C9H10N2O4
M r 210.19
Crystal system, space group Monoclinic, C2/c
Temperature (K) 173
a, b, c () 14.4803(15), 11.4054(11), 13.0936(13)
() 116.341(8)
V (3) 1937.9(4)
Z 8
Radiation type Mo K
(mm1) 0.12
Crystal size (mm) 0.25 0.25 0.10
 
Data collection
Diffractometer Rigaku Mercury375R
Absorption correction Multi-scan (REQAB; Rigaku, 1998)
T min, T max 0.840, 1.000
No. of measured, independent and observed [I > 2(I)] reflections 8409, 1759, 1348
R int 0.045
(sin /)max (1) 0.601
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.037, 0.098, 1.06
No. of reflections 1759
No. of parameters 176
H-atom treatment All H-atom parameters refined
max, min (e 3) 0.21, 0.17

Computer programs: CrystalClear-SM Expert (Rigaku, 2014), SHELXT (Sheldrick, 2015a ), SHELXL2013 (Sheldrick, 2015b ) and OLEX2 (Dolomanov et al., 2009).