Table 4. Experimental details.
Crystal data | |
Chemical formula | C17H14N2O |
M r | 262.30 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 293 |
a, b, c (Å) | 9.0710 (4), 12.0526 (7), 24.6120 (11) |
β (°) | 95.999 (4) |
V (Å3) | 2676.1 (2) |
Z | 8 |
Radiation type | Mo Kα |
μ (mm−1) | 0.08 |
Crystal size (mm) | 0.60 × 0.35 × 0.05 |
Data collection | |
Diffractometer | Rigaku XtaLAB PRO |
Absorption correction | Multi-scan (CrysAlis PRO; Rigaku OD, 2018 ▸) |
T min, T max | 0.212, 1.000 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 29344, 6395, 4554 |
R int | 0.042 |
(sin θ/λ)max (Å−1) | 0.690 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.046, 0.120, 1.03 |
No. of reflections | 6395 |
No. of parameters | 379 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.19, −0.21 |