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Information card for entry 2241505
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| Coordinates | 2241505.cif |
|---|---|
| Structure factors | 2241505.hkl |
| Original IUCr paper | HTML |
| Common name | (1<i>Z</i>,2<i>E</i>)-cinnamaldehyde oxime |
|---|---|
| Chemical name | (1<i>Z</i>,2<i>E</i>)-3-phenylprop-2-enal oxime |
| Formula | C9 H9 N O |
| Calculated formula | C9 H9 N O |
| SMILES | O/N=C\C=C\c1ccccc1 |
| Title of publication | Crystal structure of (1<i>Z</i>,2<i>E</i>)-cinnamaldehyde oxime |
| Authors of publication | Bugenhagen, Bernhard; Al Soom, Nuha; Al Jasem, Yosef; Thiemann, Thies |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o1063 - o1064 |
| a | 10.231 ± 0.005 Å |
| b | 7.584 ± 0.003 Å |
| c | 41.816 ± 0.018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3245 ± 2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181916 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241505.cif 2241505.hkl |
| 174758 | 2016-01-22 | cif/ hkl/ Adding structures of 2241505 via cif-deposit CGI script. |
2241505.cif 2241505.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.