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Information card for entry 2008084
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| Coordinates | 2008084.cif |
|---|---|
| Structure factors | 2008084.hkl |
| Original IUCr paper | HTML |
| Chemical name | o-Chlorobenzaldehyde Nicotinoylhydrazone Dihydrate |
|---|---|
| Formula | C13 H14 Cl N3 O3 |
| Calculated formula | C13 H14 Cl N3 O3 |
| SMILES | Clc1c(/C=N/NC(=O)c2cccnc2)cccc1.O.O |
| Title of publication | <i>o</i>-Chlorobenzaldehyde nicotinoylhydrazone dihydrate |
| Authors of publication | Zhong-lin Lu; Bei-sheng Kang; Hoong-Kun Fun; Ibrahim Abdul Razak; Kandasamy Chinnakali |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 1 |
| Pages of publication | 89 - 91 |
| a | 7.797 ± 0.0006 Å |
| b | 9.4921 ± 0.0007 Å |
| c | 9.7074 ± 0.0007 Å |
| α | 89.506 ± 0.002° |
| β | 74.124 ± 0.002° |
| γ | 79.242 ± 0.002° |
| Cell volume | 678.21 ± 0.09 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 | 0.0798 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for all reflections included in the refinement | 0.1506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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