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Information card for entry 2240553
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| Coordinates | 2240553.cif |
|---|---|
| Structure factors | 2240553.hkl |
| Original IUCr paper | HTML |
| Common name | N-(5-methylsalicylidene)aniline |
|---|---|
| Chemical name | 2-{(<i>E</i>)-[(2-Hydroxyphenyl)iminiumyl]methyl}-4-methylphenolate |
| Formula | C14 H13 N O2 |
| Calculated formula | C14 H13 N O2 |
| SMILES | N(/C=C/1C(=O)C=CC(=C1)C)c1c(O)cccc1 |
| Title of publication | Crystal structure of 2-{(<i>E</i>)-[(2-hydroxyphenyl)iminiumyl]methyl}-4-methylphenolate |
| Authors of publication | Shalini, Suresh; Girija, C. R.; Jotani, Mukesh M.; Sathish, C. D.; Venkatesha, T. V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o288 |
| a | 12.9474 ± 0.0018 Å |
| b | 9.066 ± 0.0013 Å |
| c | 19.583 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2298.7 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0805 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1113 |
| Weighted residual factors for all reflections included in the refinement | 0.1298 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240553.cif 2240553.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240553.cif 2240553.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240553.cif 2240553.hkl |
| 135207 | 2015-04-10 | cif/ hkl/ Adding structures of 2240553 via cif-deposit CGI script. |
2240553.cif 2240553.hkl |
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Users of the data should acknowledge the original authors of the
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