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Information card for entry 2236960
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| Coordinates | 2236960.cif |
|---|---|
| Structure factors | 2236960.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-(2-Chlorophenyl)-1-(4-chlorophenyl)formamido 3-(2-nitrophenyl)propanoate |
|---|---|
| Formula | C22 H16 Cl2 N2 O5 |
| Calculated formula | C22 H16 Cl2 N2 O5 |
| Title of publication | <i>N</i>-(2-Chlorophenyl)-1-(4-chlorophenyl)formamido 3-(2-nitrophenyl)propanoate |
| Authors of publication | Fan, Lin-Lan; Wang, Hui; Ma, Jing; Shi, Xiu-Xiao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | o3498 |
| a | 9.1574 ± 0.0008 Å |
| b | 10.1976 ± 0.0006 Å |
| c | 12.1736 ± 0.0008 Å |
| α | 91.847 ± 0.005° |
| β | 108.327 ± 0.008° |
| γ | 100.285 ± 0.006° |
| Cell volume | 1057.05 ± 0.14 Å3 |
| Cell temperature | 292.5 ± 0.4 K |
| Ambient diffraction temperature | 292.5 ± 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 | 0.0762 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for all reflections included in the refinement | 0.1394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2236960.cif 2236960.hkl |
| 181291 | 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 2/23/69. |
2236960.cif 2236960.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. |
2236960.cif 2236960.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236960.cif 2236960.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236960.cif 2236960.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236960.cif 2236960.hkl |
| 71224 | 2013-01-18 | cif/ Adding structures of 2236960 via cif-deposit CGI script. |
2236960.cif |
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Users of the data should acknowledge the original authors of the
structural data.