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Information card for entry 2203406
Preview
| Coordinates | 2203406.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-Acetyl-5-(2-methoxyphenyl)-3-(2-methoxystyryl)-2-pyrazoline |
|---|---|
| Formula | C21 H22 N2 O3 |
| Calculated formula | C21 H22 N2 O3 |
| SMILES | O=C(N1N=C(C=Cc2ccccc2OC)CC1c1ccccc1OC)C |
| Title of publication | 1-Acetyl-5-(2-methoxyphenyl)-3-(2-methoxystyryl)-2-pyrazoline |
| Authors of publication | R.V.Krishnakumar; V.Vijayabaskar; S.Perumal; S.Selvaraj; S.Natarajan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 4 |
| Pages of publication | o476 - o478 |
| a | 8.8485 ± 0.0011 Å |
| b | 8.9259 ± 0.0007 Å |
| c | 12.9652 ± 0.0015 Å |
| α | 70.074 ± 0.009° |
| β | 81.597 ± 0.01° |
| γ | 75.041 ± 0.008° |
| Cell volume | 928.16 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0519 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1312 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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