Skip to main content
. 2017 Nov 30;73(Pt 12):1971–1973. doi: 10.1107/S205698901701698X

Table 2. Experimental details.

Crystal data
Chemical formula C10H10N4O3
M r 234.22
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 10.060 (2), 8.2538 (17), 13.536 (3)
β (°) 104.479 (10)
V3) 1088.2 (4)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.11
Crystal size (mm) 0.15 × 0.10 × 0.10
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.987, 0.989
No. of measured, independent and observed [I > 2σ(I)] reflections 14003, 2372, 1252
R int 0.044
(sin θ/λ)max−1) 0.642
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.057, 0.137, 1.02
No. of reflections 2372
No. of parameters 167
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.14, −0.17

Computer programs: APEX2 and SAINT (Bruker, 2014), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), Mercury (Macrae et al., 2008) and publCIF (Westrip, 2010).