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Information card for entry 2019922
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| Coordinates | 2019922.cif |
|---|---|
| Structure factors | 2019922.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2,7-Dimethoxynaphthalen-1-yl)(3-fluorophenyl)methanone |
|---|---|
| Formula | C19 H15 F O3 |
| Calculated formula | C19 H15 F O3 |
| SMILES | Fc1cc(C(=O)c2c(OC)ccc3ccc(OC)cc23)ccc1 |
| Title of publication | Hydrogen bonding between aromatic H and F groups leading to a stripe structure withR- andS-columns: the crystal structure of (2,7-dimethoxynaphthalen-1-yl)(3-fluorophenyl)methanone and comparison with its 1-aroylnaphthalene analogues |
| Authors of publication | Mohri, Saki; Ohisa, Shinji; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| a | 11.0057 ± 0.0002 Å |
| b | 7.64555 ± 0.00014 Å |
| c | 18.6746 ± 0.0003 Å |
| α | 90° |
| β | 103.671 ± 0.001° |
| γ | 90° |
| Cell volume | 1526.85 ± 0.05 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0433 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.1005 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019922.cif 2019922.hkl |
| 180867 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/99. |
2019922.cif 2019922.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019922.cif 2019922.hkl |
| 134682 | 2015-04-04 | cif/ hkl/ Adding structures of 2019922 via cif-deposit CGI script. |
2019922.cif 2019922.hkl |
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