Skip to main content
. 2017 Sep 25;73(Pt 10):1523–1525. doi: 10.1107/S205698901701341X

Table 2. Experimental details.

Crystal data
Chemical formula C6H10N8S2
M r 258.34
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 8.2456 (10), 13.7471 (17), 9.6878 (12)
β (°) 92.643 (4)
V3) 1097.0 (2)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.47
Crystal size (mm) 0.25 × 0.22 × 0.19
 
Data collection
Diffractometer Bruker D8 Venture Photon 100 CMOS
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.697, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 23909, 2725, 2620
R int 0.024
(sin θ/λ)max−1) 0.668
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.022, 0.057, 1.08
No. of reflections 2725
No. of parameters 148
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.36, −0.25

Computer programs: APEX3 (Bruker, 2014), SAINT (Bruker, 2014), SHELXS2014 (Sheldrick, 2008), Mercury (Macrae et al., 2008), SHELXL2014 (Sheldrick, 2015), PLATON (Spek, 2009) and publCIF (Westrip, 2010).