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Information card for entry 2240757
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| Coordinates | 2240757.cif |
|---|---|
| Structure factors | 2240757.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Benzamido-2-hydroxybenzoic acid |
|---|---|
| Formula | C14 H11 N O4 |
| Calculated formula | C14 H11 N O4 |
| SMILES | OC(=O)c1c(O)cc(NC(=O)c2ccccc2)cc1 |
| Title of publication | Crystal structure of 4-benzamido-2-hydroxybenzoic acid |
| Authors of publication | Shahid, Muhammad; Choudhary, Muhammad Aziz; Butt, Arshad Farooq; Tahir, Muhammad Nawaz; Salim, Muhammad |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o409 |
| a | 5.6689 ± 0.0005 Å |
| b | 32.039 ± 0.003 Å |
| c | 6.6413 ± 0.0005 Å |
| α | 90° |
| β | 103.53 ± 0.005° |
| γ | 90° |
| Cell volume | 1172.76 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.101 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240757.cif 2240757.hkl |
| 137017 | 2015-05-20 | cif/ hkl/ Adding structures of 2240757 via cif-deposit CGI script. |
2240757.cif 2240757.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.