Skip to main content
. 2020 Jan 7;76(Pt 2):137–140. doi: 10.1107/S2056989019017304

Table 2. Experimental details.

Crystal data
Chemical formula C2H4N3 +·C2HO4
M r 159.11
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 296
a, b, c (Å) 5.592 (1), 7.2162 (12), 8.4021 (13)
α, β, γ (°) 109.148 (6), 93.889 (7), 103.282 (6)
V3) 307.92 (9)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.16
Crystal size (mm) 0.34 × 0.22 × 0.22
 
Data collection
Diffractometer Bruker D8 Quest CMOS PHOTON II
Absorption correction Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.638, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 4805, 1524, 1278
R int 0.038
(sin θ/λ)max−1) 0.668
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.037, 0.102, 1.07
No. of reflections 1524
No. of parameters 112
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.37, −0.20

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ) and OLEX2 (Dolomanov et al., 2009).