Table 2. Experimental details.
Crystal data | |
Chemical formula | C9H10ClNO2 |
M r | 199.63 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 172 |
a, b, c (Å) | 10.0939 (5), 9.6423 (5), 10.2799 (5) |
β (°) | 115.531 (2) |
V (Å3) | 902.83 (8) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 0.39 |
Crystal size (mm) | 0.29 × 0.25 × 0.09 |
Data collection | |
Diffractometer | Bruker D8 QUEST PHOTON 3 diffractometer |
Absorption correction | Numerical (SADABS; Krause et al., 2015 ▸) |
T min, T max | 0.91, 0.97 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 43210, 2871, 2508 |
R int | 0.034 |
(sin θ/λ)max (Å−1) | 0.726 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.032, 0.091, 1.10 |
No. of reflections | 2871 |
No. of parameters | 123 |
No. of restraints | 1 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.38, −0.21 |