Skip to main content
. 2016 Sep 5;72(Pt 10):1377–1379. doi: 10.1107/S2056989016013827

Table 2. Experimental details.

Crystal data
Chemical formula C20H16Cl2N2O2
M r 387.27
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 294
a, b, c (Å) 7.7318 (3), 9.6675 (4), 12.8299 (5)
α, β, γ (°) 76.511 (4), 76.157 (4), 73.928 (3)
V3) 880.30 (6)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.39
Crystal size (mm) 0.09 × 0.07 × 0.04
 
Data collection
Diffractometer Rigaku Saturn724+
Absorption correction Multi-scan (CrystalClear-SM Expert, Rigaku, 2011)
T min, T max 0.968, 0.985
No. of measured, independent and observed [I > 2σ(I)] reflections 8400, 4278, 3813
R int 0.025
(sin θ/λ)max−1) 0.674
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.031, 0.083, 1.05
No. of reflections 4278
No. of parameters 235
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.35, −0.23

Computer programs: CrystalClear-SM Expert (Rigaku, 2011), SHELXS97 and SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows and WinGX (Farrugia, 2012) and PLATON (Spek, 2009).