Information card for entry 7246001
| Formula |
C16 H12 N2 O2 |
| Calculated formula |
C16 H12 N2 O2 |
| Title of publication |
π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues |
| Authors of publication |
Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui |
| Journal of publication |
CrystEngComm |
| Year of publication |
2023 |
| Journal volume |
25 |
| Journal issue |
3 |
| Pages of publication |
432 - 443 |
| a |
19.3362 ± 0.0012 Å |
| b |
10.0456 ± 0.0006 Å |
| c |
14.15 ± 0.0007 Å |
| α |
90° |
| β |
107.503 ± 0.006° |
| γ |
90° |
| Cell volume |
2621.3 ± 0.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.0557 |
| Residual factor for significantly intense reflections |
0.0433 |
| Weighted residual factors for significantly intense reflections |
0.1168 |
| Weighted residual factors for all reflections included in the refinement |
0.1316 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7246001.html
