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. 2023 Sep 12;8(Pt 9):x230780. doi: 10.1107/S2414314623007800

Table 2. Experimental details.

Crystal data
Chemical formula C17H14Cl2N2
M r 317.20
Crystal system, space group Monoclinic, P21/n
Temperature (K) 296
a, b, c (Å) 7.2107 (8), 10.2179 (13), 20.863 (3)
β (°) 90.562 (4)
V3) 1537.1 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.42
Crystal size (mm) 0.52 × 0.34 × 0.13
 
Data collection
Diffractometer Agilent Xcalibur, Atlas, Gemini
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.631, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 68672, 3872, 1946
R int 0.091
(sin θ/λ)max−1) 0.671
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.048, 0.134, 1.01
No. of reflections 3872
No. of parameters 246
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.20, −0.27

Computer programs: CrysAlis PRO and CrysAlis RED (Agilent, 2012), SHELXT2018/2 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ) and PLATON (Spek, 2020).