| Crystal data |
| Chemical formula |
C7H5ClO2·C7H7N2O |
|
M
r
|
291.71 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
7.7817 (2), 9.5743 (3), 11.1516 (4) |
| α, β, γ (°) |
113.721 (3), 90.064 (2), 112.397 (3) |
|
V (Å3) |
691.47 (4) |
|
Z
|
2 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
2.54 |
| Crystal size (mm) |
0.17 × 0.07 × 0.06 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, AtlasS2 |
| Absorption correction |
Gaussian (CrysAlis PRO; Rigaku OD, 2018 ▸) |
|
T
min, T
max
|
0.604, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
17474, 2873, 2589 |
|
R
int
|
0.043 |
| (sin θ/λ)max (Å−1) |
0.631 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.047, 0.128, 1.07 |
| No. of reflections |
2873 |
| No. of parameters |
189 |
| No. of restraints |
2 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.61, −0.47 |
