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Information card for entry 2241065
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| Coordinates | 2241065.cif |
|---|---|
| Structure factors | 2241065.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-{(<i>E</i>)-[(3,4-Dichlorophenyl)imino]methyl}naphthalen-2-ol |
|---|---|
| Formula | C17 H11 Cl2 N O |
| Calculated formula | C17 H11 Cl2 N O |
| SMILES | Clc1cc(/N=C/c2c(O)ccc3ccccc23)ccc1Cl |
| Title of publication | Crystal structure of 1-{(<i>E</i>)-[(3,4-dichlorophenyl)imino]methyl}naphthalen-2-ol |
| Authors of publication | Tahir, Muhammad Nawaz; Anwar-ul-Haq, Muhammad; Shad, Hazoor Ahmad |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | o696 |
| a | 27.075 ± 0.004 Å |
| b | 3.9284 ± 0.0006 Å |
| c | 26.359 ± 0.004 Å |
| α | 90° |
| β | 95.287 ± 0.009° |
| γ | 90° |
| Cell volume | 2791.7 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1137 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241065.cif 2241065.hkl |
| 153802 | 2015-08-30 | cif/ hkl/ Adding structures of 2241065 via cif-deposit CGI script. |
2241065.cif 2241065.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.