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Information card for entry 8102698
Preview
| Coordinates | 8102698.cif |
|---|---|
| External links | PubChem |
| Chemical name | 1-(1,3-diphenylallylidene)-2-(2-nitrophenyl)hydrazine |
|---|---|
| Formula | C21 H17 N3 O2 |
| Calculated formula | C21 H17 N3 O2 |
| SMILES | N(/N=C(/C=C/c1ccccc1)c1ccccc1)c1c(N(=O)=O)cccc1 |
| Title of publication | Crystal structure of 1-(1,3-diphenylallylidene)-2-(2-nitrophenyl)hydrazine, C21H17N3O2 |
| Authors of publication | Zhi-Gang Yin; Zong-Lei Fei; Heng-Yu Qian; Chun-Xia Zhang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 2 |
| Pages of publication | 343 |
| a | 8.1686 ± 0.0013 Å |
| b | 9.8684 ± 0.0014 Å |
| c | 11.7741 ± 0.0015 Å |
| α | 93.016 ± 0.011° |
| β | 93.753 ± 0.012° |
| γ | 110.37 ± 0.014° |
| Cell volume | 885 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1009 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0692 |
| Weighted residual factors for all reflections included in the refinement | 0.0758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.732 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102698.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102698.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102698.cif |
| 13437 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102698 via cif-deposit CGI script. |
8102698.cif |
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Users of the data should acknowledge the original authors of the
structural data.