| Crystal data |
| Chemical formula |
C13H11NO2
|
|
M
r
|
213.23 |
| Crystal system, space group |
Monoclinic, P
c
|
| Temperature (K) |
150 |
|
a, b, c (Å) |
5.5391 (1), 5.7873 (2), 16.0859 (4) |
| β (°) |
99.067 (1) |
|
V (Å3) |
509.21 (2) |
|
Z
|
2 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
0.77 |
| Crystal size (mm) |
0.19 × 0.17 × 0.15 |
| |
| Data collection |
| Diffractometer |
Bruker D8 VENTURE PHOTON 100 CMOS |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.77, 0.89 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
3578, 1654, 1607 |
|
R
int
|
0.023 |
| (sin θ/λ)max (Å−1) |
0.618 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.033, 0.084, 1.06 |
| No. of reflections |
1654 |
| No. of parameters |
145 |
| No. of restraints |
2 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.18, −0.18 |
| Absolute structure |
Flack x determined using 611 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸). |
| Absolute structure parameter |
0.30 (13) |
