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Information card for entry 2011672
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| Coordinates | 2011672.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 3-Chlorophenyl-N-phenylnitrone |
|---|---|
| Chemical name | N-(benzylidene)(3-chlorophenyl)N-oxide |
| Formula | C20 H16 Cl N O3 |
| Calculated formula | C20 H16 Cl N O3 |
| SMILES | Clc1cc(ccc1)N(=O)=Cc1ccccc1.O=C(O)c1ccccc1 |
| Title of publication | <i>N</i>-(3-Chlorophenyl)-α-phenylnitrone: association with benzoic acid through hydrogen bonding |
| Authors of publication | Chandrasekar, S.; Panchanatheswaran, K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 12 |
| Pages of publication | 1442 - 1443 |
| a | 7.609 ± 0.003 Å |
| b | 9.63 ± 0.002 Å |
| c | 12.858 ± 0.002 Å |
| α | 110.14 ± 0.01° |
| β | 94.8 ± 0.02° |
| γ | 96.83 ± 0.02° |
| Cell volume | 870.4 ± 0.4 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 | 0.0638 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for all reflections | 0.1457 |
| Weighted residual factors for significantly intense reflections | 0.1352 |
| Goodness-of-fit parameter for all reflections | 1.052 |
| Goodness-of-fit parameter for significantly intense reflections | 1.103 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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