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Information card for entry 2020949
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| Coordinates | 2020949.cif |
|---|---|
| Structure factors | 2020949.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]benzamide |
|---|---|
| Formula | C20 H16 Cl N O2 S |
| Calculated formula | C20 H16 Cl N O2 S |
| Title of publication | Synthesis and structures of six closely related <i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order <i>versus</i> disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions |
| Authors of publication | Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| a | 9.7868 ± 0.0009 Å |
| b | 13.9567 ± 0.0012 Å |
| c | 13.3764 ± 0.0011 Å |
| α | 90° |
| β | 101.816 ± 0.002° |
| γ | 90° |
| Cell volume | 1788.4 ± 0.3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1017 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205532 (current) | 2018-01-24 | cif/ hkl/ Adding structures of 2020949, 2020950, 2020951, 2020952, 2020953, 2020954, 2020955 via cif-deposit CGI script. |
2020949.cif 2020949.hkl |
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Users of the data should acknowledge the original authors of the
structural data.