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Information card for entry 2241366
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| Coordinates | 2241366.cif |
|---|---|
| Structure factors | 2241366.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-{[(2,4-Dihydroxybenzylidene)amino]methyl}cyclohexanecarboxylic acid |
|---|---|
| Formula | C15 H19 N O4 |
| Calculated formula | C15 H19 N O4 |
| SMILES | OC(=O)C1CCC(CC1)C/N=C/c1c(O)cc(O)cc1 |
| Title of publication | Crystal structure of 4-{[(2,4-dihydroxybenzylidene)amino]methyl}cyclohexanecarboxylic acid |
| Authors of publication | Danish, Muhammad; Akbar, Saba; Tahir, Muhammad Nawaz; Butt, Rabia Ayub; Ashfaq, Muhammad |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o995 - o996 |
| a | 6.2399 ± 0.0017 Å |
| b | 10.222 ± 0.002 Å |
| c | 22.251 ± 0.006 Å |
| α | 90° |
| β | 90.232 ± 0.008° |
| γ | 90° |
| Cell volume | 1419.3 ± 0.6 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 | 0.17 |
| Residual factor for significantly intense reflections | 0.0768 |
| Weighted residual factors for significantly intense reflections | 0.1695 |
| Weighted residual factors for all reflections included in the refinement | 0.2144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241366.cif 2241366.hkl |
| 170600 | 2015-11-29 | cif/ hkl/ Adding structures of 2241366 via cif-deposit CGI script. |
2241366.cif 2241366.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.