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. 2020 Apr 21;76(Pt 5):683–691. doi: 10.1107/S2056989020005113
  (IIa) (IId) (IIe)
Crystal data
Chemical formula C26H21N5O2 C25H17Cl2N5O2 C29H21N5O2
M r 435.48 490.33 471.51
Crystal system, space group Triclinic, P Inline graphic Monoclinic, C2/c Monoclinic, P21/n
Temperature (K) 297 297 297
a, b, c (Å) 9.8432 (6), 11.7441 (7), 12.3005 (7) 28.1916 (17), 8.0537 (5), 22.0446 (12) 9.8460 (8), 22.4303 (18), 11.0490 (9)
α, β, γ (°) 114.120 (2), 111.139 (2), 96.537 (2) 90, 109.070 (1), 90 90, 104.157 (2), 90
V3) 1152.06 (12) 4730.5 (5) 2366.0 (3)
Z 2 8 4
Radiation type Mo Kα Mo Kα Mo Kα
μ (mm−1) 0.08 0.31 0.09
Crystal size (mm) 0.20 × 0.20 × 0.18 0.18 × 0.15 × 0.15 0.22 × 0.21 × 0.16
 
Data collection
Diffractometer Bruker APEXII Bruker APEXII Bruker APEXII
Absorption correction Multi-scan (SADABS; Bruker, 2016) Multi-scan (SADABS; Bruker, 2016) Multi-scan (SADABS; Bruker, 2016)
T min, T max 0.868, 0.985 0.881, 0.955 0.930, 0.986
No. of measured, independent and observed [I > 2σ(I)] reflections 17379, 4050, 2957 31508, 4174, 3181 43217, 4196, 2463
R int 0.048 0.049 0.092
(sin θ/λ)max−1) 0.596 0.595 0.597
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.050, 0.148, 1.10 0.086, 0.155, 1.36 0.063, 0.154, 1.06
No. of reflections 4050 4174 4196
No. of parameters 301 382 327
No. of restraints 0 291 0
H-atom treatment H-atom parameters constrained H-atom parameters constrained H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.19, −0.22 0.21, −0.23 0.23, −0.27

Computer programs: APEX3, SAINT and XPREP (Bruker, 2016), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL2014 (Sheldrick, 2015b ) and PLATON (Spek, 2020).