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Information card for entry 2105749
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| Coordinates | 2105749.cif |
|---|---|
| Structure factors | 2105749.hkl |
| Original IUCr paper | HTML |
| Chemical name | (N-(2,6-difluorophenyl)formamide).(N-(2,6-dichlorophenyl)formamide) 0.73:0.27 |
|---|---|
| Formula | C7 H5 Cl1.46 F0.54 N O |
| Calculated formula | C7 H5 Cl1.456 F0.544 N O |
| SMILES | O=CNc1c(Cl)cccc1Cl.O=CNc1c(F)cccc1F |
| Title of publication | Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides |
| Authors of publication | Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | 106 - 114 |
| a | 8.522 ± 0.0002 Å |
| b | 12.291 ± 0.0003 Å |
| c | 14.309 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1498.78 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0379 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.254 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181876 (current) | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/57. |
2105749.cif 2105749.hkl |
| 180915 | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/57. |
2105749.cif 2105749.hkl |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105749.cif 2105749.hkl |
| 104718 | 2014-03-11 | cif/ hkl/ Adding structures of 2105749, 2105750, 2105751, 2105752 via cif-deposit CGI script. |
2105749.cif 2105749.hkl |
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Users of the data should acknowledge the original authors of the
structural data.