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Information card for entry 7238142
Preview
Coordinates | 7238142.cif |
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Original paper (by DOI) | HTML |
Common name | 2,6-dimethyl-N-phenylformamide |
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Formula | C9 H11 N O |
Calculated formula | C9 H11 N O |
Title of publication | Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder |
Authors of publication | Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P. |
Journal of publication | CrystEngComm |
Year of publication | 2005 |
Journal volume | 7 |
Journal issue | 114 |
Pages of publication | 690 |
a | 4.5023 ± 0.0004 Å |
b | 8.5886 ± 0.0008 Å |
c | 21.297 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 823.52 ± 0.13 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0348 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.1001 |
Weighted residual factors for all reflections included in the refinement | 0.1074 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.664 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7238142.html
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