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Information card for entry 2232120
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| Coordinates | 2232120.cif |
|---|---|
| Structure factors | 2232120.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | <i>N</i>-(3-Chloro-4-fluorophenyl)-2,2-diphenylacetamide |
|---|---|
| Formula | C20 H15 Cl F N O |
| Calculated formula | C20 H15 Cl F N O |
| SMILES | Clc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1F |
| Title of publication | <i>N</i>-(3-Chloro-4-fluorophenyl)-2,2-diphenylacetamide |
| Authors of publication | Praveen, A. S.; Jasinski, Jerry P.; Golen, James A.; Narayana, B.; Yathirajan, H. S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | o2604 |
| a | 9.3665 ± 0.0017 Å |
| b | 10.2069 ± 0.0012 Å |
| c | 9.7774 ± 0.0016 Å |
| α | 90° |
| β | 114.42 ± 0.02° |
| γ | 90° |
| Cell volume | 851.1 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2232120.cif 2232120.hkl |
| 201979 | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2232120.cif 2232120.hkl |
| 181243 | 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 2/23/21. |
2232120.cif 2232120.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2232120.cif 2232120.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232120.cif 2232120.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. | 2232120.cif 2232120.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232120.cif 2232120.hkl |
| 29414 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232120 via cif-deposit CGI script. |
2232120.cif |
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Users of the data should acknowledge the original authors of the
structural data.