Table 2. Experimental details.
Crystal data | |
Chemical formula | C21H18N2O |
M r | 314.37 |
Crystal system, space group | Monoclinic, C2/c |
Temperature (K) | 293 |
a, b, c (Å) | 30.3989 (15), 8.7177 (5), 14.0581 (7) |
β (°) | 115.367 (2) |
V (Å3) | 3366.3 (3) |
Z | 8 |
Radiation type | Mo Kα |
μ (mm−1) | 0.08 |
Crystal size (mm) | 0.20 × 0.20 × 0.18 |
Data collection | |
Diffractometer | Bruker SMART APEXII CCD |
Absorption correction | – |
No. of measured, independent and observed [I > 2σ(I)] reflections | 22457, 2948, 2557 |
R int | 0.048 |
(sin θ/λ)max (Å−1) | 0.595 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.044, 0.126, 1.07 |
No. of reflections | 2948 |
No. of parameters | 219 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.16, −0.18 |