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Information card for entry 2001229
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Coordinates | 2001229.cif |
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Original IUCr paper | HTML |
Chemical name | (-)-α-[(2-acetyl-5-methylphenyl)amino]-2,6-dichlorobenzeneacetamide |
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Formula | C17 H16 Cl2 N2 O2 |
Calculated formula | C17 H16 Cl2 N2 O2 |
SMILES | Cc1ccc(c(c1)N[C@@H](c1c(Cl)cccc1Cl)C(=O)N)C(=O)C |
Title of publication | Structure and absolute configuration of (‒)-α-[(2-acetyl-5-methylphenyl)amino]-2,6-dichlorobenzeneacetamide |
Authors of publication | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1993 |
Journal volume | 49 |
Journal issue | 11 |
Pages of publication | 1961 - 1963 |
a | 7.3416 ± 0.0008 Å |
b | 10.3924 ± 0.0008 Å |
c | 21.509 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1641.1 ± 0.3 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0334 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for all reflections | 0.0775 |
Weighted residual factors for significantly intense reflections | 0.0575 |
Goodness-of-fit parameter for significantly intense reflections | 0.94 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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