Table 2. Experimental details.
Crystal data | |
Chemical formula | C15H12N2O2 |
M r | 252.28 |
Crystal system, space group | Orthorhombic, P212121 |
Temperature (K) | 100 |
a, b, c (Å) | 6.5690 (8), 12.7956 (15), 14.1278 (16) |
V (Å3) | 1187.5 (2) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 0.10 |
Crystal size (mm) | 0.38 × 0.21 × 0.14 |
Data collection | |
Diffractometer | Bruker APEXII CCD |
Absorption correction | Multi-scan (SADABS; Bruker, 2014 ▸) |
No. of measured, independent and observed [I ≥ 2u(I)] reflections | 18798, 2095, 1759 |
R int | 0.107 |
(sin θ/λ)max (Å−1) | 0.596 |
Refinement | |
R[F2 > 2σ(F 2)], wR(F 2), S | 0.044, 0.091, 1.09 |
No. of reflections | 2095 |
No. of parameters | 176 |
No. of restraints | 1 |
H-atom treatment | All H-atom parameters refined |
Δρmax, Δρmin (e Å−3) | 0.24, −0.28 |