Skip to main content
. 2019 Jan 1;75(Pt 1):53–57. doi: 10.1107/S2056989018017450

Table 2. Experimental details.

Crystal data
Chemical formula C15H10FNO3
M r 271.24
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 3.8860 (5), 13.2324 (16), 24.199 (3)
β (°) 91.963 (2)
V3) 1243.6 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.11
Crystal size (mm) 0.49 × 0.35 × 0.31
 
Data collection
Diffractometer Bruker SMART APEXII DUO CCD area-detector
Absorption correction Multi-scan (SADABS; Bruker, 2009)
T min, T max 0.794, 0.926
No. of measured, independent and observed [I > 2σ(I)] reflections 10823, 2418, 1922
R int 0.026
(sin θ/λ)max−1) 0.617
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.043, 0.138, 1.04
No. of reflections 2418
No. of parameters 181
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.21, −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).