| Crystal data |
| Chemical formula |
C13H9N |
|
M
r
|
179.21 |
| Crystal system, space group |
Monoclinic, P21/n
|
| Temperature (K) |
295 |
|
a, b, c (Å) |
11.28453 (11), 12.38182 (12), 6.67905 (9) |
| β (°) |
92.0618 (6) |
|
V (Å3) |
932.61 (2) |
|
Z
|
4 |
| Radiation type |
Synchrotron, λ = 0.699789 Å |
| μ (mm−1) |
0.08 |
| Specimen shape, size (mm) |
Cylinder, 8 × 1 |
| |
| Data collection |
| Diffractometer |
Huber 401 diffractometer, Ge(111) analyzer crystal |
| Specimen mounting |
1 mm glass capillary, spun during data collection |
| Data collection mode |
Transmission |
| Scan method |
Step |
| 2θ values (°) |
2θmin = 2, 2θmax = 35, 2θstep = 0.005 |
| |
| Refinement |
|
R factors and goodness of fit |
R
p = 0.041, R
wp = 0.050, R
exp = 0.028, R
Bragg = 0.011, χ2 = 3.183 |
| No. of parameters |
81 |
| No. of restraints |
12 |
| H-atom treatment |
H-atom parameters not refined |
