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CIF Information Card
Information card for 2015291
2015290 << 2015291 >> 2015292Preview
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Coordinates |
2015291.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 2-(4-chloroaniline)-1,2-diphenylethanone |
| Formula | - C20 H16 Cl N O - |
| Calculated formula | - C20 H16 Cl N O - |
| Title of publication | 2-(4-Methoxyanilino)- and 2-(4-chloroanilino)-1,2-diphenylethanone |
| Authors of publication | Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Soto, Bernardino; Au-Alvarez, Oscar |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 5 |
| Pages of publication | o304 - o306 |
| a | 5.7748 ± 0.0008 Å |
| b | 11.485 ± 0.002 Å |
| c | 13.086 ± 0.002 Å |
| α | 113.47 ± 0.01° |
| β | 100.39 ± 0.01° |
| γ | 97.29 ± 0.01° |
| Cell volume | 763.8 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0446 |
| Residual factor for observed reflections | 0.0372 |
| Weighted residual factors for the observed reflections | 0.0977 |
| Weighted residual factors for all reflections included in the refinement | 0.1007 |
| Goodness-of-fit parameter for observed reflections | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |