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CIF Information Card
Information card for 2234425
2234424 << 2234425 >> 2234426Preview
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Coordinates |
2234425.cif |
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Structure factors |
2234425.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | (2<i>Z</i>)-2-{[<i>N</i>-(2-Formylphenyl)-4-methylbenzenesulfonamido]methyl}- 3-(4-methylphenyl)prop-2-enenitrile |
| Formula | - C25 H22 N2 O3 S - |
| Calculated formula | - C25 H22 N2 O3 S - |
| Title of publication | (2<i>Z</i>)-2-{[<i>N</i>-(2-Formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methylphenyl)prop-2-enenitrile |
| Authors of publication | Kannan, D.; Bakthadoss, M.; Madhanraj, R.; Murugavel, S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o1084 |
| a | 8.9432 ± 0.0005 Å |
| b | 10.3004 ± 0.0006 Å |
| c | 24.924 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2296 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0669 |
| Residual factor for observed reflections | 0.0431 |
| Weighted residual factors for the observed reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for observed reflections | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |