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. 2019 Apr 18;75(Pt 5):650–654. doi: 10.1107/S2056989019005139

Table 2. Experimental details.

Crystal data
Chemical formula C17H12Cl2N2O
M r 331.19
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 5.8511 (6), 12.5544 (15), 21.069 (2)
β (°) 92.666 (8)
V3) 1546.0 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.42
Crystal size (mm) 0.74 × 0.29 × 0.05
 
Data collection
Diffractometer Stoe IPDS 2
Absorption correction Integration (X-RED32; Stoe & Cie, 2002)
T min, T max 0.844, 0.973
No. of measured, independent and observed [I > 2σ(I)] reflections 8675, 2726, 1196
R int 0.103
(sin θ/λ)max−1) 0.596
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.056, 0.094, 0.88
No. of reflections 2726
No. of parameters 199
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.15, −0.20

Computer programs: X-AREA and X-RED (Stoe & Cie, 2002), SHELXT2017 (Sheldrick, 2015a ), SHELXL2018 (Sheldrick, 2015b ), WinGX (Farrugia, 2012), PLATON (Spek, 2009) and publCIF (Westrip, 2010).