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Information card for entry 2240731
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| Coordinates | 2240731.cif |
|---|---|
| Structure factors | 2240731.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-{[(2-Chlorophenyl)imino]methyl}phenol |
|---|---|
| Formula | C13 H10 Cl N O |
| Calculated formula | C13 H10 Cl N O |
| SMILES | Clc1c(/N=C/c2c(O)cccc2)cccc1 |
| Title of publication | Crystal structure of 2-{[(2-chlorophenyl)imino]methyl}phenol |
| Authors of publication | Saranya, Matheswaran; Subashini, Annamalai; Arunagiri, Chidambaram; Muthiah, Packianathan Thomas |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o48 |
| a | 6.8591 ± 0.0002 Å |
| b | 12.1829 ± 0.0004 Å |
| c | 13.5405 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1131.49 ± 0.06 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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 |
2240731.cif 2240731.hkl |
| 136892 | 2015-05-18 | cif/ hkl/ Adding structures of 2240731 via cif-deposit CGI script. |
2240731.cif 2240731.hkl |
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public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.