| Crystal data |
| Chemical formula |
C9H12O6
|
C10H14O6
|
|
M
r
|
216.19 |
230.21 |
| Crystal system, space group |
Monoclinic, P21
|
Monoclinic, P21
|
| Temperature (K) |
100 |
100 |
|
a, b, c (Å) |
6.2930 (8), 5.3712 (7), 14.0916 (17) |
6.4272 (8), 5.2976 (6), 15.5678 (19) |
| β (°) |
92.885 (2) |
94.469 (2) |
|
V (Å3) |
475.71 (10) |
528.45 (11) |
|
Z
|
2 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.13 |
0.12 |
| Crystal size (mm) |
0.21 × 0.07 × 0.03 |
0.39 × 0.15 × 0.05 |
| |
| Data collection |
| Diffractometer |
Bruker SMART APEXII |
Bruker SMART APEXII |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2008 ▸) |
Multi-scan (SADABS; Bruker, 2008 ▸) |
|
T
min, T
max
|
0.827, 0.996 |
0.917, 0.995 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
4142, 2455, 1914 |
4329, 2612, 2503 |
|
R
int
|
0.030 |
0.015 |
| (sin θ/λ)max (Å−1) |
0.682 |
0.682 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.043, 0.083, 1.06 |
0.028, 0.072, 1.05 |
| No. of reflections |
2455 |
2612 |
| No. of parameters |
144 |
153 |
| No. of restraints |
1 |
1 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.29, −0.24 |
0.30, −0.20 |
