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Information card for entry 7052535
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Coordinates | 7052535.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | (1R,2S)-2-((2-hydroxy-1,2-diphenyl-ethylimino)-methyl)-phenol |
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Chemical name | (1R,2S)-2-[(2-hydroxy-1,2-diphenyl-ethylimino)-methyl]-phenol |
Formula | C21 H19 N O2 |
Calculated formula | C21 H19 N O2 |
SMILES | c1(ccccc1/C=N/[C@@H]([C@H](c1ccccc1)O)c1ccccc1)O |
Title of publication | X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond |
Authors of publication | Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 1 |
Pages of publication | 156 |
a | 6.1478 ± 0.0002 Å |
b | 7.5477 ± 0.0002 Å |
c | 36.0798 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1674.17 ± 0.07 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 | 0.094 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.1158 |
Weighted residual factors for all reflections included in the refinement | 0.1488 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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