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Information card for entry 2242485
Preview
Coordinates | 2242485.cif |
---|---|
Structure factors | 2242485.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>Z</i>)-3-Benzyloxy-6-{[(5-chloro-2-hydroxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one |
---|---|
Formula | C20 H16 Cl N O3 |
Calculated formula | C20 H16 Cl N O3 |
SMILES | Clc1ccc(O)c(NC=c2c(=O)cc(OCc3ccccc3)cc2)c1 |
Title of publication | (<i>E</i>)-2-{[(2-Aminophenyl)imino]methyl}-5-(benzyloxy)phenol and (<i>Z</i>)-3-benzyloxy-6-{[(5-chloro-2-hydroxyphenyl)amino]methylidene}cyclohexa-2,4-dien-1-one |
Authors of publication | Ghichi, Nadir; Benboudiaf, Ali; Bensouici, Chawki; DJebli, Yacine; Merazig, Hocine |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 5 |
Pages of publication | 737 - 742 |
a | 5.959 ± 0.0002 Å |
b | 7.871 ± 0.0003 Å |
c | 17.9743 ± 0.0006 Å |
α | 98.381 ± 0.002° |
β | 93.817 ± 0.002° |
γ | 90.294 ± 0.002° |
Cell volume | 832.11 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0524 |
Residual factor for significantly intense reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.1254 |
Weighted residual factors for all reflections included in the refinement | 0.1333 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2242485.html
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