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Information card for entry 2242419
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Coordinates | 2242419.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (<i>E</i>)-5-Benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol |
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Formula | C20 H16 Cl N O2 |
Calculated formula | C20 H16 Cl N O2 |
SMILES | Clc1ccc(/N=C/c2c(O)cc(OCc3ccccc3)cc2)cc1 |
Title of publication | Crystal structures and antioxidant capacity of (<i>E</i>)-5-benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol and (<i>E</i>)-5-benzyloxy-2-({[2-(1<i>H</i>-indol-3-yl)ethyl]iminiumyl}methyl)phenolate |
Authors of publication | Ghichi, Nadir; Bensouici, Chawki; Benboudiaf, Ali; DJebli, Yacine; Merazig, Hocine |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 4 |
Pages of publication | 478 - 482 |
a | 6.056 ± 0.002 Å |
b | 7.363 ± 0.003 Å |
c | 36.761 ± 0.012 Å |
α | 90° |
β | 91.3 ± 0.02° |
γ | 90° |
Cell volume | 1638.8 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0865 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.1278 |
Weighted residual factors for all reflections included in the refinement | 0.1525 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2242419.html
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