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. 2014 Jul 19;70(Pt 8):84–86. doi: 10.1107/S1600536814014445

Table 2. Experimental details.

Crystal data
Chemical formula C17H15ClN2O2
M r 314.76
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 100
a, b, c (Å) 5.6966 (6), 10.6852 (13), 12.7750 (17)
α, β, γ (°) 101.573 (7), 100.620 (7), 101.311 (6)
V3) 726.47 (15)
Z 2
Radiation type Cu Kα
μ (mm−1) 2.40
Crystal size (mm) 0.55 × 0.1 × 0.05
 
Data collection
Diffractometer Bruker SMART 6000
Absorption correction Multi-scan (SADABS; Bruker, 2003)
T min, T max 0.695, 0.887
No. of measured, independent and observed [I > 2σ(I)] reflections 13302, 2723, 2053
R int 0.093
(sin θ/λ)max−1) 0.614
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.064, 0.171, 1.06
No. of reflections 2723
No. of parameters 212
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.49, −0.52

Computer programs: SMART and SAINT (Bruker, 2003), SHELXS97 and SHELXL97 (Sheldrick, 2008) and OLEX2 (Dolomanov et al., 2009).