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Information card for entry 1544309
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| Coordinates | 1544309.cif |
|---|---|
| Structure factors | 1544309.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-<i>N</i>'-Benzylidene-2-phenylquinoline-4-carbohydrazide |
|---|---|
| Formula | C23 H17 N3 O |
| Calculated formula | C23 H17 N3 O |
| SMILES | O=C(N/N=C/c1ccccc1)c1c2c(nc(c1)c1ccccc1)cccc2 |
| Title of publication | (<i>E</i>)-<i>N</i>'-Benzylidene-2-phenylquinoline-4-carbohydrazide |
| Authors of publication | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Albayati, Mustafa R.; Ahmed, Ehab A. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 10 |
| Pages of publication | x161544 |
| a | 7.6704 ± 0.0008 Å |
| b | 13.2898 ± 0.0013 Å |
| c | 9.0627 ± 0.0009 Å |
| α | 90° |
| β | 107.22 ± 0.006° |
| γ | 90° |
| Cell volume | 882.42 ± 0.16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0428 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187409 (current) | 2016-10-19 | cif/ hkl/ Adding structures of 1544309 via cif-deposit CGI script. |
1544309.cif 1544309.hkl |
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Users of the data should acknowledge the original authors of the
structural data.