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. 2015 Jun 24;71(Pt 7):840–843. doi: 10.1107/S205698901501172X

Table 2. Experimental details.

Crystal data
Chemical formula C2H5N4 +C5H3N2O2
M r 208.19
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c () 7.0599(5), 12.1868(8), 10.8385(6)
() 103.593(4)
V (3) 906.40(10)
Z 4
Radiation type Mo K
(mm1) 0.12
Crystal size (mm) 0.09 0.04 0.03
 
Data collection
Diffractometer Bruker X8 Kappa CCD APEXII
Absorption correction Multi-scan (SADABS; Sheldrick, 1998)
T min, T max 0.989, 0.997
No. of measured, independent and observed [I > 2(I)] reflections 12089, 1858, 1037
R int 0.077
(sin /)max (1) 0.625
 
Refinement
R[F 2 > 2(F 2)], wR(F 2), S 0.059, 0.133, 1.02
No. of reflections 1858
No. of parameters 148
No. of restraints 5
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
max, min (e 3) 0.19, 0.20

Computer programs: APEX2 (Bruker, 2006), SAINT-Plus (Bruker, 2005), SHELXS97 and SHELXTL (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015) and DIAMOND (Brandenburg, 2009).