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Information card for entry 2243185
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| Coordinates | 2243185.cif |
|---|---|
| Structure factors | 2243185.hkl |
| Original IUCr paper | HTML |
| Chemical name | Benzo[<i>h</i>]quinoline-3-carboxamide |
|---|---|
| Formula | C14 H10 N2 O |
| Calculated formula | C14 H10 N2 O |
| SMILES | O=C(N)c1cnc2c3ccccc3ccc2c1 |
| Title of publication | Crystal structure of benzo[<i>h</i>]quinoline-3-carboxamide |
| Authors of publication | Grathwol, Christoph W.; Chrysochos, Nicolas; Elvers, Benedict J.; Link, Andreas; Schulzke, Carola |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 12 |
| Pages of publication | 1828 - 1832 |
| a | 12.634 ± 0.003 Å |
| b | 4.9426 ± 0.001 Å |
| c | 16.778 ± 0.003 Å |
| α | 90° |
| β | 100.53 ± 0.03° |
| γ | 90° |
| Cell volume | 1030.1 ± 0.4 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 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 | 0.1197 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1313 |
| Weighted residual factors for all reflections included in the refinement | 0.1666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225420 (current) | 2019-11-09 | cif/ hkl/ Adding structures of 2243185 via cif-deposit CGI script. |
2243185.cif 2243185.hkl |
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Users of the data should acknowledge the original authors of the
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