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Information card for entry 4513406
Preview
Coordinates | 4513406.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H13 Cl N2 O |
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Calculated formula | C15 H13 Cl N2 O |
SMILES | c1(ccccc1Cl)/C=N/C(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 | 18.549 ± 0.003 Å |
b | 13.827 ± 0.002 Å |
c | 5.3162 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1363.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0512 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.1147 |
Weighted residual factors for all reflections included in the refinement | 0.1213 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4513406.html
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