| Crystal data |
| Chemical formula |
C13H15NO2
|
C10H17NO2
|
C14H17NO2
|
|
M
r
|
217.26 |
183.24 |
231.28 |
| Crystal system, space group |
Monoclinic, P21/c
|
Monoclinic, P21/c
|
Monoclinic, P21
|
| Temperature (K) |
213 |
170 |
170 |
|
a, b, c (Å) |
11.7356 (14), 9.2401 (8), 11.3970 (14) |
9.8226 (7), 9.8323 (6), 11.2700 (8) |
10.0459 (9), 8.1011 (5), 15.7052 (13) |
| β (°) |
113.148 (14) |
108.171 (5) |
103.372 (7) |
|
V (Å3) |
1136.4 (2) |
1034.16 (12) |
1243.48 (17) |
|
Z
|
4 |
4 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.09 |
0.08 |
0.08 |
| Crystal size (mm) |
0.33 × 0.15 × 0.12 |
0.32 × 0.28 × 0.21 |
0.44 × 0.21 × 0.14 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS 2 |
Stoe IPDS 2 |
Stoe IPDS 2T |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
7396, 2159, 1414 |
7337, 2774, 2126 |
11343, 11343, 9181 |
|
R
int
|
0.078 |
0.033 |
0.042 |
| (sin θ/λ)max (Å−1) |
0.616 |
0.685 |
0.688 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.041, 0.097, 0.94 |
0.036, 0.104, 1.03 |
0.048, 0.131, 1.05 |
| No. of reflections |
2159 |
2774 |
11343 |
| No. of parameters |
147 |
123 |
315 |
| No. of restraints |
0 |
0 |
1 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.18, −0.17 |
0.30, −0.14 |
0.27, −0.28 |
| Absolute structure |
– |
– |
Classical Flack method preferred over Parsons because s.u. lower. |
| Absolute structure parameter |
– |
– |
2.9 (7) |
