Information card for entry 7231524
| Formula |
C13 H11 Cl N2 O2 |
| Calculated formula |
C13 H11 Cl N2 O2 |
| Title of publication |
Zwitterion formation and subsequent carboxylate–pyridinium NH synthon generation through isomerization of 2-anilinonicotinic acid |
| Authors of publication |
Yue, Pengyun; Dong, Caiqiao; Zhang, Mingtao; Xu, Danrui; Parkin, Sean; Li, Tonglei; Li, Conggang; Yu, Faquan; Long, Sihui |
| Journal of publication |
CrystEngComm |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
40 |
| Pages of publication |
6126 |
| a |
12.217 ± 0.0002 Å |
| b |
10.689 ± 0.0002 Å |
| c |
18.218 ± 0.0005 Å |
| α |
90° |
| β |
90.039 ± 0.001° |
| γ |
90° |
| Cell volume |
2379.04 ± 0.09 Å3 |
| Cell temperature |
90 ± 0.2 K |
| Ambient diffraction temperature |
90 ± 0.2 K |
| Number of distinct elements |
5 |
| 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 |
0.0442 |
| Residual factor for significantly intense reflections |
0.0357 |
| Weighted residual factors for significantly intense reflections |
0.0885 |
| Weighted residual factors for all reflections included in the refinement |
0.0931 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.07 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7231524.html
