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. 2020 Apr 20;76(Pt 5):446–453. doi: 10.1107/S2053229620003757
  (IV) (V)
Crystal data
Chemical formula C15H8ClN3O2 C17H15N3O3
M r 297.69 309.32
Crystal system, space group Monoclinic, P21/c Monoclinic, P21/c
a, b, c (Å) 16.7331 (12), 5.9676 (4), 13.681 (1) 11.1518 (5), 9.3143 (4), 14.2417 (6)
β (°) 112.820 (3) 98.655 (2)
V3) 1259.21 (16) 1462.46 (11)
μ (mm−1) 0.31 0.10
Crystal size (mm) 0.25 × 0.14 × 0.11 0.19 × 0.11 × 0.07
 
Data collection
T min, T max 0.880, 0.967 0.960, 0.993
No. of measured, independent and observed [I > 2σ(I)] reflections 34775, 2891, 2413 33834, 3360, 3084
R int 0.056 0.036
(sin θ/λ)max−1) 0.650 0.650
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.034, 0.087, 1.12 0.042, 0.098, 1.07
No. of reflections 2891 3360
No. of parameters 190 213
H-atom treatment H-atom parameters constrained H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.37, −0.26 0.34, −0.22

Computer programs: APEX3 (Bruker, 2018), SAINT (Bruker, 2018), SHELXT2014 (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ) and PLATON (Spek, 2020).