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. 2016 May 17;72(Pt 6):815–818. doi: 10.1107/S2056989016007805

Table 2. Experimental details.

Crystal data
Chemical formula C20H16N6
M r 340.39
Crystal system, space group Monoclinic, P21/n
Temperature (K) 293
a, b, c (Å) 9.3050 (5), 9.4479 (5), 19.5429 (9)
β (°) 99.205 (2)
V3) 1695.94 (15)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.08
Crystal size (mm) 0.40 × 0.39 × 0.18
 
Data collection
Diffractometer Bruker D8 Venture/Photon 100 CMOS
Absorption correction Multi-scan (SADABS; Bruker, 2013)
T min, T max 0.666, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 28764, 3480, 2830
R int 0.035
(sin θ/λ)max−1) 0.626
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.067, 0.160, 1.42
No. of reflections 3480
No. of parameters 236
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.24, −0.27

Computer programs: APEX2 and SAINT (Bruker, 2013), SHELXS2014 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015) and Mercury (Macrae et al., 2008).