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Information card for entry 2237666
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| Coordinates | 2237666.cif |
|---|---|
| Structure factors | 2237666.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4-Chlorobenzoyl)(4-chlorophenyl)amino 3-(2-nitrophenyl)propanoate |
|---|---|
| Formula | C22 H16 Cl2 N2 O5 |
| Calculated formula | C22 H16 Cl2 N2 O5 |
| SMILES | Clc1ccc(N(OC(=O)CCc2c(N(=O)=O)cccc2)C(=O)c2ccc(Cl)cc2)cc1 |
| Title of publication | (4-Chlorobenzoyl)(4-chlorophenyl)amino 3-(2-nitrophenyl)propanoate |
| Authors of publication | Ding, Yi-lan; Shao, Chang-jiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 4 |
| Pages of publication | o561 |
| a | 6.171 ± 0.0003 Å |
| b | 12.8881 ± 0.0007 Å |
| c | 13.349 ± 0.0008 Å |
| α | 89.933 ± 0.005° |
| β | 76.959 ± 0.005° |
| γ | 82.114 ± 0.004° |
| Cell volume | 1024.03 ± 0.1 Å3 |
| Cell temperature | 294.1 ± 0.4 K |
| Ambient diffraction temperature | 294.1 ± 0.4 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181298 (current) | 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 2/23/76. |
2237666.cif 2237666.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. |
2237666.cif 2237666.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237666.cif 2237666.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237666.cif 2237666.hkl |
| 85412 | 2013-05-07 | cif/ Adding structures of 2237666 via cif-deposit CGI script. |
2237666.cif |
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Users of the data should acknowledge the original authors of the
structural data.