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Information card for entry 8106451
Preview
| Coordinates | 8106451.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H26 N2 O3 |
|---|---|
| Calculated formula | C23 H26 N2 O3 |
| SMILES | O=C1c2c(C/C1=C\c1cc(c(O)c(OC)c1)CN1CCN(CC1)C)cccc2 |
| Title of publication | Crystal structure of (E)-2-({4-hydroxy-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]phenyl} methylidene)-1-indanone, C23H26N2O3 |
| Authors of publication | Tugrak, Mehtap; Aydin, Abdullah; Gul, Halise Inci; Sahin, Ertan; Akkurt, Mehmet |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 1 |
| Pages of publication | 113 - 115 |
| a | 10.6646 ± 0.0019 Å |
| b | 10.7784 ± 0.0017 Å |
| c | 11.15 ± 0.002 Å |
| α | 67.787 ± 0.007° |
| β | 64.309 ± 0.007° |
| γ | 64.271 ± 0.007° |
| Cell volume | 1011.6 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.1002 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.1481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280301 (current) | 2023-01-12 | cif/ Adding structures of 8106451 via cif-deposit CGI script. |
8106451.cif |
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Users of the data should acknowledge the original authors of the
structural data.