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Information card for entry 1520188
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Coordinates | 1520188.cif |
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Chemical name | N-(3-hydroxyphenyl)acetamide |
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Formula | C8 H9 N O2 |
Calculated formula | C8 H9 N O2 |
SMILES | c1(cccc(c1)O)NC(=O)C |
Title of publication | N-(3-hydroxyphenyl)acetamide |
Authors of publication | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2008 |
Pages of publication | 542 |
a | 10.5129 ± 0.0004 Å |
b | 17.0435 ± 0.0004 Å |
c | 4.0675 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 728.8 ± 0.04 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0322 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0701 |
Weighted residual factors for all reflections included in the refinement | 0.0715 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
137635 (current) | 2015-06-01 | cif/ Adding structures of 1520188 via cif-deposit CGI script. |
1520188.cif |
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Users of the data should acknowledge the original authors of the
structural data.