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Information card for entry 4513405
Preview
Coordinates | 4513405.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H13 F N2 O |
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Calculated formula | C15 H13 F N2 O |
SMILES | c1(c(cccc1)F)/C=N/[C@H](C(=O)N)c1ccccc1 |
Title of publication | Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines |
Authors of publication | George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 8 |
Pages of publication | 4005 |
a | 20.316 ± 0.0018 Å |
b | 5.205 ± 0.0003 Å |
c | 13.5364 ± 0.0014 Å |
α | 90° |
β | 114.387 ± 0.012° |
γ | 90° |
Cell volume | 1303.7 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0406 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.0854 |
Weighted residual factors for all reflections included in the refinement | 0.0904 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/4513405.html
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