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. 2020 Mar 17;5(Pt 3):x200385. doi: 10.1107/S2414314620003855

Table 2. Experimental details.

Crystal data
Chemical formula C10H13N5
M r 203.25
Crystal system, space group Monoclinic, P21/c
Temperature (K) 446
a, b, c (Å) 10.7335 (9), 12.4005 (10), 7.9206 (6)
β (°) 93.654 (4)
V3) 1052.09 (15)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.18 × 0.16 × 0.15
 
Data collection
Diffractometer Bruker SMART APEX CCD
Absorption correction Multi-scan (SADABS; Bruker, 1998)
No. of measured, independent and observed [I > 2σ(I)] reflections 12900, 1855, 1452
R int 0.034
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.050, 0.180, 1.16
No. of reflections 1855
No. of parameters 136
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.21, −0.28

Computer programs: SMART and SAINT (Bruker, 1998), SHELXS97 (Sheldrick, 2008), SHELXL2018 (Sheldrick, 2015) and ORTEP-3 for Windows (Farrugia, 2012).