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. 2019 Jan 1;75(Pt 1):71–74. doi: 10.1107/S2056989018017590

Table 2. Experimental details.

Crystal data
Chemical formula C17H14N4O3
M r 322.32
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 7.8595 (4), 11.8831 (7), 15.5716 (9)
β (°) 101.853 (1)
V3) 1423.30 (14)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.11
Crystal size (mm) 0.35 × 0.32 × 0.17
 
Data collection
Diffractometer Bruker SMART APEX CCD
Absorption correction Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.90, 0.98
No. of measured, independent and observed [I > 2σ(I)] reflections 26832, 3807, 3116
R int 0.032
(sin θ/λ)max−1) 0.684
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.041, 0.120, 1.05
No. of reflections 3807
No. of parameters 273
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.49, −0.20

Computer programs: APEX3 and SAINT (Bruker, 2016), SHELXT (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ), DIAMOND (Brandenburg & Putz, 2012) and SHELXTL (Sheldrick, 2008).