| Crystal data |
| Chemical formula |
C13H22NO3
+·C7H5O2
−
|
|
M
r
|
361.42 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
298 |
|
a, b, c (Å) |
8.7525 (16), 10.691 (2), 11.220 (2) |
| α, β, γ (°) |
79.953 (8), 69.969 (5), 87.796 (7) |
|
V (Å3) |
971.0 (3) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.09 |
| Crystal size (mm) |
0.2 × 0.2 × 0.2 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD area detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2013 ▸) |
|
T
min, T
max
|
0.702, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
30220, 4451, 3646 |
|
R
int
|
0.031 |
| (sin θ/λ)max (Å−1) |
0.650 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.042, 0.112, 1.05 |
| No. of reflections |
4451 |
| No. of parameters |
255 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.20, −0.16 |
