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. 2016 Jan 1;72(Pt 1):31–34. doi: 10.1107/S2056989015023245

Table 2. Experimental details.

Crystal data
Chemical formula C19H17Cl3N2O3
M r 427.70
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 295
a, b, c (Å) 9.753 (5), 10.029 (6), 11.099 (5)
α, β, γ (°) 106.281 (4), 96.420 (5), 104.913 (5)
V3) 987.0 (9)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.49
Crystal size (mm) 0.26 × 0.21 × 0.18
 
Data collection
Diffractometer Bruker APEXII area detector
Absorption correction Multi-scan (SADABS; Sheldrick, 2003)
T min, T max 0.789, 0.916
No. of measured, independent and observed [I > 2σ(I)] reflections 18900, 4534, 3178
R int 0.026
(sin θ/λ)max−1) 0.651
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.050, 0.146, 1.03
No. of reflections 4534
No. of parameters 249
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.58, −0.54

Computer programs: APEX2 and SAINT-Plus (Bruker, 2012), SHELXS97 (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015) and PLATON (Spek, 2009).