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Information card for entry 4513410
Preview
Coordinates | 4513410.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H13 N3 O3 |
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Calculated formula | C15 H13 N3 O3 |
SMILES | c1(ccccc1N(=O)=O)/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 | 5.232 ± 0.0004 Å |
b | 13.79 ± 0.0013 Å |
c | 18.6379 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1344.7 ± 0.2 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 | 0.0544 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.1474 |
Weighted residual factors for all reflections included in the refinement | 0.1502 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
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/4513410.html
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