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Information card for entry 2240387
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| Coordinates | 2240387.cif |
|---|---|
| Structure factors | 2240387.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-(1,2-Phenylene)bis(2-chloroacetamide) |
|---|---|
| Formula | C10 H10 Cl2 N2 O2 |
| Calculated formula | C10 H10 Cl2 N2 O2 |
| SMILES | ClCC(=O)Nc1ccccc1NC(=O)CCl |
| Title of publication | Crystal structure of <i>N</i>,<i>N</i>'-(1,2-phenylene)bis(2-chloroacetamide) |
| Authors of publication | Tariq, Javaria; Murtaza, Shahzad; Tahir, Muhammad Nawaz; Zaheer, Muhammad |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o108 |
| a | 4.5731 ± 0.0004 Å |
| b | 14.326 ± 0.0016 Å |
| c | 16.7472 ± 0.0015 Å |
| α | 90° |
| β | 95.611 ± 0.005° |
| γ | 90° |
| Cell volume | 1091.92 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0504 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240387.cif 2240387.hkl |
| 181323 | 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 2/24/03. |
2240387.cif 2240387.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. |
2240387.cif 2240387.hkl |
| 129659 | 2015-01-15 | cif/ hkl/ Adding structures of 2240387 via cif-deposit CGI script. |
2240387.cif 2240387.hkl |
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Users of the data should acknowledge the original authors of the
structural data.