| Crystal data |
| Chemical formula |
C20H20N2O3H2O |
|
M
r
|
354.40 |
| Crystal system, space group |
Orthorhombic, P
c
a21
|
| Temperature (K) |
296 |
|
a, b, c () |
13.0920(17), 19.198(3), 15.827(2) |
|
V (3) |
3978.1(9) |
|
Z
|
8 |
| Radiation type |
Mo K
|
| (mm1) |
0.08 |
| Crystal size (mm) |
0.39 0.27 0.19 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2009 ▸) |
|
T
min, T
max
|
0.973, 0.984 |
| No. of measured, independent and observed [I > 2(I)] reflections |
61392, 8543, 4909 |
|
R
int
|
0.057 |
| (sin /)max (1) |
0.649 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.049, 0.135, 0.98 |
| No. of reflections |
8543 |
| No. of parameters |
489 |
| No. of restraints |
29 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
|
max, min (e 3) |
0.20, 0.14 |
| Absolute structure |
Flack (1983 ▸), 4587 Friedel pairs |
| Absolute structure parameter |
0.1(1) |
