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. 2018 Nov 20;74(Pt 12):1815–1820. doi: 10.1107/S205698901801589X

Table 3. Experimental details.

Crystal data
Chemical formula C16H19N5O
M r 297.36
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 150
a, b, c (Å) 5.3265 (2), 9.9946 (4), 14.5414 (5)
α, β, γ (°) 103.054 (2), 100.039 (2), 93.108 (2)
V3) 739.03 (5)
Z 2
Radiation type Cu Kα
μ (mm−1) 0.71
Crystal size (mm) 0.25 × 0.21 × 0.02
 
Data collection
Diffractometer Bruker D8 VENTURE PHOTON 100 CMOS
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.84, 0.97
No. of measured, independent and observed [I > 2σ(I)] reflections 5735, 2764, 2281
R int 0.030
(sin θ/λ)max−1) 0.617
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.041, 0.100, 1.07
No. of reflections 2764
No. of parameters 276
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.25, −0.21

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL2018 (Sheldrick, 2015b ), DIAMOND (Brandenburg & Putz, 2012) and SHELXTL (Sheldrick, 2008).