| Crystal data |
| Chemical formula |
C15H10ClN |
|
M
r
|
239.69 |
| Crystal system, space group |
Orthorhombic, P
b
c
n
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
13.3417 (8), 7.1030 (5), 25.1418 (18) |
|
V (Å3) |
2382.6 (3) |
|
Z
|
8 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
2.61 |
| Crystal size (mm) |
0.31 × 0.29 × 0.05 |
| |
| Data collection |
| Diffractometer |
SuperNova, Dual, Cu at zero, Atlas |
| Absorption correction |
Analytical (CrysAlis PRO; Agilent, 2012 ▸) |
|
T
min, T
max
|
0.560, 0.889 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
6681, 2132, 1930 |
|
R
int
|
0.031 |
| (sin θ/λ)max (Å−1) |
0.598 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.050, 0.122, 1.10 |
| No. of reflections |
2132 |
| No. of parameters |
212 |
| No. of restraints |
44 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.28, −0.20 |
