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Information card for entry 1520242
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Coordinates | 1520242.cif |
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Chemical name | N-(4-chlorophenyl)acetamide |
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Formula | C8 H8 Cl N O |
Calculated formula | C8 H8 Cl N O |
SMILES | Clc1ccc(NC(=O)C)cc1 |
Title of publication | N-(4-chlorophenyl)acetamide |
Authors of publication | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2008 |
Pages of publication | 1387 |
a | 9.6978 ± 0.0004 Å |
b | 12.3874 ± 0.0004 Å |
c | 6.5757 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 789.94 ± 0.05 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0407 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0721 |
Weighted residual factors for all reflections included in the refinement | 0.0771 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520242.cif |
137861 | 2015-06-04 | cif/ Adding structures of 1520242 via cif-deposit CGI script. |
1520242.cif |
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Users of the data should acknowledge the original authors of the
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