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Information card for entry 1519888
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Coordinates | 1519888.cif |
---|
Chemical name | N-(2-cyanophenyl)acetamide |
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Formula | C9 H8 N2 O |
Calculated formula | C9 H8 N2 O |
SMILES | c1(c(cccc1)C#N)NC(=O)C |
Title of publication | N-(2-cyanophenyl)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 | 1365 |
a | 3.8114 ± 0.0004 Å |
b | 11.336 ± 0.0014 Å |
c | 18.3264 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 791.81 ± 0.15 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0673 |
Residual factor for significantly intense reflections | 0.0557 |
Weighted residual factors for significantly intense reflections | 0.1262 |
Weighted residual factors for all reflections included in the refinement | 0.1319 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1519888.html
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