| Crystal data |
| Chemical formula |
C6H9NO4H2O |
|
M
r
|
177.16 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
100 |
|
a, b, c () |
8.9688(8), 8.0063(8), 10.9628(10) |
| () |
106.015(4) |
|
V (3) |
756.65(12) |
|
Z
|
4 |
| Radiation type |
Cu K
|
| (mm1) |
1.18 |
| Crystal size (mm) |
0.37 0.32 0.10 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2005 ▸) |
|
T
min, T
max
|
0.669, 0.891 |
| No. of measured, independent and observed [I > 2(I)] reflections |
6086, 2164, 2154 |
|
R
int
|
0.018 |
|
max () |
61.0 |
| (sin /)max (1) |
0.567 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.021, 0.055, 1.06 |
| No. of reflections |
2164 |
| No. of parameters |
305 |
| No. of restraints |
1 |
| H-atom treatment |
All H-atom parameters refined |
|
max, min (e 3) |
0.15, 0.16 |
| Absolute structure |
Flack (1983 ▸), 836 Friedel pairs |
| Absolute structure parameter |
0.57(15) |
