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. 2018 Apr 27;74(Pt 5):757–760. doi: 10.1107/S2056989018005984

Table 3. Experimental details.

Crystal data
Chemical formula C24H19Cl2N3O4
M r 484.32
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 296
a, b, c (Å) 7.4028 (5), 7.4432 (5), 22.4616 (15)
α, β, γ (°) 97.255 (5), 90.274 (5), 114.784 (5)
V3) 1112.36 (14)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.33
Crystal size (mm) 0.61 × 0.26 × 0.04
 
Data collection
Diffractometer Stoe IPDS 2
Absorption correction Integration (X-RED32; Stoe & Cie, 2002)
T min, T max 0.901, 0.987
No. of measured, independent and observed [I > 2σ(I)] reflections 15409, 4604, 2261
R int 0.083
(sin θ/λ)max−1) 0.628
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.043, 0.089, 0.87
No. of reflections 4604
No. of parameters 298
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.13, −0.17

Computer programs: X-AREA and X-RED32 (Stoe & Cie, 2002), SHELXS97 and SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows and WinGX (Farrugia, 2012) and PLATON (Spek, 2009).