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Information card for entry 7221559
Preview
| Coordinates | 7221559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 F N3 O3 |
|---|---|
| Calculated formula | C19 H18 F N3 O3 |
| Title of publication | Synthesis, growth, spectral studies, first-order molecular hyperpolarizability and Hirshfeld surface analysis of isonicotinohydrazide single crystals |
| Authors of publication | Meenatchi, V.; Meenakshisundaram, SP. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 8.6739 ± 0.0004 Å |
| b | 9.7386 ± 0.0004 Å |
| c | 11.1516 ± 0.0005 Å |
| α | 75.139 ± 0.001° |
| β | 74.865 ± 0.002° |
| γ | 88.181 ± 0.002° |
| Cell volume | 878.28 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 152079 (current) | 2015-07-15 | cif/ Adding structures of 7221559 via cif-deposit CGI script. |
7221559.cif |
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Users of the data should acknowledge the original authors of the
structural data.