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Information card for entry 2242380
Preview
Coordinates | 2242380.cif |
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Structure factors | 2242380.hkl |
Original IUCr paper | HTML |
Common name | (<i>E</i>)-1-naphthaldehyde oxime |
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Chemical name | (<i>E</i>)-1-Naphthaldehyde oxime |
Formula | C11 H9 N O |
Calculated formula | C11 H9 N O |
SMILES | O/N=C/c1cccc2ccccc12 |
Title of publication | Crystal structures of (<i>E</i>)-1-naphthaldehyde oxime and (<i>E</i>)-phenanthrene-9-carbaldehyde oxime |
Authors of publication | Lasri, Jamal; Chulvi, Katherine; Eltayeb, Naser Eltaher |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 3 |
Pages of publication | 332 - 336 |
a | 7.928 ± 0.005 Å |
b | 4.843 ± 0.003 Å |
c | 11.444 ± 0.007 Å |
α | 90° |
β | 94.03 ± 0.05° |
γ | 90° |
Cell volume | 438.3 ± 0.5 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1179 |
Residual factor for significantly intense reflections | 0.0551 |
Weighted residual factors for significantly intense reflections | 0.0825 |
Weighted residual factors for all reflections included in the refinement | 0.0983 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
206431 (current) | 2018-02-14 | cif/ hkl/ Adding structures of 2242380, 2242381 via cif-deposit CGI script. |
2242380.cif 2242380.hkl |
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