| Crystal data |
| Chemical formula |
C18H21NO3
|
C16H17NO3
|
|
M
r
|
299.36 |
271.30 |
| Crystal system, space group |
Monoclinic, P21/c
|
Orthorhombic, P
b
c
a
|
| Temperature (K) |
90 |
90 |
|
a, b, c (Å) |
11.4982 (7), 5.0086 (3), 26.7240 (16) |
11.8747 (10), 7.2485 (6), 30.392 (2) |
| α, β, γ (°) |
90, 97.683 (2), 90 |
90, 90, 90 |
|
V (Å3) |
1525.22 (16) |
2616.0 (4) |
|
Z
|
4 |
8 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.09 |
0.10 |
| Crystal size (mm) |
0.58 × 0.07 × 0.07 |
0.28 × 0.06 × 0.06 |
| |
| Data collection |
| Diffractometer |
Bruker D8 goniometer |
Bruker D8 goniometer |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2018 ▸) |
Multi-scan (SADABS; Bruker, 2018 ▸) |
|
T
min, T
max
|
0.580, 0.747 |
0.666, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
27741, 4862, 4204 |
41504, 3506, 2193 |
|
R
int
|
0.066 |
0.128 |
| (sin θ/λ)max (Å−1) |
0.725 |
0.685 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.049, 0.121, 1.07 |
0.050, 0.143, 1.05 |
| No. of reflections |
4862 |
3506 |
| No. of parameters |
202 |
182 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.42, −0.26 |
0.28, −0.26 |
