| Crystal data |
| Chemical formula |
C15H13NO4·CH4O |
|
M
r
|
303.30 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
4.6993 (5), 10.038 (1), 30.155 (3) |
|
V (Å3) |
1422.5 (3) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.11 |
| Crystal size (mm) |
0.61 × 0.36 × 0.17 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS 2 |
| Absorption correction |
Integration (X-RED32; Stoe & Cie, 2002 ▸) |
|
T
min, T
max
|
0.963, 0.988 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
17046, 2526, 2117 |
|
R
int
|
0.095 |
| (sin θ/λ)max (Å−1) |
0.596 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.046, 0.112, 1.08 |
| No. of reflections |
2526 |
| No. of parameters |
206 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.25, −0.26 |
| Absolute structure |
Refined as a perfect inversion twin. |
| Absolute structure parameter |
0.5 |
