Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1543129
Preview
| Coordinates | 1543129.cif |
|---|---|
| Structure factors | 1543129.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Aminobenzoic acid‒quinoline (1/1) |
|---|---|
| Formula | C16 H14 N2 O2 |
| Calculated formula | C16 H14 N2 O2 |
| SMILES | c1(ccc(cc1)N)C(=O)O.c1ccc2ccccc2n1 |
| Title of publication | 4-Aminobenzoic acid‒quinoline (1/1) |
| Authors of publication | Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | x160604 |
| a | 7.6842 ± 0.0007 Å |
| b | 8.1013 ± 0.0006 Å |
| c | 22.0669 ± 0.0016 Å |
| α | 90° |
| β | 90.893 ± 0.003° |
| γ | 90° |
| Cell volume | 1373.54 ± 0.19 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0779 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Weighted residual factors for all reflections included in the refinement | 0.1166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182162 (current) | 2016-04-16 | cif/ hkl/ Adding structures of 1543129 via cif-deposit CGI script. |
1543129.cif 1543129.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.