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Information card for entry 2239494
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| Coordinates | 2239494.cif |
|---|---|
| Structure factors | 2239494.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-Chloro-2-{[4-(dimethylamino)benzylidene]amino}phenol |
|---|---|
| Formula | C15 H15 Cl N2 O |
| Calculated formula | C15 H15 Cl N2 O |
| SMILES | Clc1ccc(c(c1)/N=C/c1ccc(cc1)N(C)C)O |
| Title of publication | (<i>E</i>)-4-Chloro-2-{[4-(dimethylamino)benzylidene]amino}phenol |
| Authors of publication | Ghichi, Nadir; Benaouida, Mohamed Amine; Benosmane, Ali; Benboudiaf, Ali; Merazig, Hocine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o603 |
| a | 7.411 ± 0.005 Å |
| b | 12.314 ± 0.005 Å |
| c | 29.684 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2709 ± 2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| 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 | 0.0565 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239494.cif 2239494.hkl |
| 181313 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/94. |
2239494.cif 2239494.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239494.cif 2239494.hkl |
| 111751 | 2014-04-27 | cif/ hkl/ Adding structures of 2239494 via cif-deposit CGI script. |
2239494.cif 2239494.hkl |
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Users of the data should acknowledge the original authors of the
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