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. 2019 Jan 1;75(Pt 1):49–52. doi: 10.1107/S2056989018017425

Table 2. Experimental details.

Crystal data
Chemical formula C17H10N2O4
M r 306.27
Crystal system, space group Monoclinic, C2/c
Temperature (K) 296
a, b, c (Å) 26.296 (5), 7.9996 (15), 16.987 (4)
β (°) 129.165 (10)
V3) 2770.5 (10)
Z 8
Radiation type Mo Kα
μ (mm−1) 0.11
Crystal size (mm) 0.44 × 0.13 × 0.02
 
Data collection
Diffractometer Bruker SMART APEXII DUO CCD area-detector
Absorption correction Multi-scan (SADABS; Bruker, 2009)
T min, T max 0.649, 0.745
No. of measured, independent and observed [I > 2σ(I)] reflections 29675, 2444, 1213
R int 0.128
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.063, 0.158, 1.02
No. of reflections 2444
No. of parameters 208
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.14, −0.17

Computer programs: APEX2 and SAINT (Bruker, 2009), SHELXS2013 and SHELXTL (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), Mercury (Macrae et al., 2008), PLATON (Spek, 2009) and publCIF (Westrip, 2010).