| Crystal data |
| Chemical formula |
C7H9NO5
|
|
M
r
|
187.15 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
123 |
|
a, b, c () |
6.0101(4), 7.1760(5), 9.8528(6) |
| () |
93.190(4) |
|
V (3) |
424.28(5) |
|
Z
|
2 |
| Radiation type |
Cu K
|
| (mm1) |
1.10 |
| Crystal size (mm) |
0.16 0.06 0.05 |
| |
| Data collection |
| Diffractometer |
Rigaku R-AXIS RAPID-II |
| Absorption correction |
Multi-scan (ABSCOR; Higashi, 1995 ▸) |
|
T
min, T
max
|
0.844, 0.947 |
| No. of measured, independent and observed [F
2 > 2(F
2)] reflections |
4941, 1533, 1249 |
|
R
int
|
0.060 |
| (sin /)max (1) |
0.602 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.042, 0.088, 1.04 |
| No. of reflections |
1533 |
| No. of parameters |
121 |
| No. of restraints |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
|
max, min (e 3) |
0.19, 0.19 |
| Absolute structure |
Flack x determined using 421 quotients [(I
+)(I
)]/[(I
+)+(I
)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
0.08(19) |
