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Information card for entry 2238393
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| Coordinates | 2238393.cif |
|---|---|
| Structure factors | 2238393.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-3-methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one |
|---|---|
| Formula | C20 H21 N3 O |
| Calculated formula | C20 H21 N3 O |
| Title of publication | (<i>Z</i>)-3-Methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one |
| Authors of publication | Sharma, Naresh; Vyas, Komal M.; Jadeja, R. N.; Kant, Rajni; Gupta, Vivek K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1271 |
| a | 8.8092 ± 0.0003 Å |
| b | 9.8629 ± 0.0004 Å |
| c | 10.9278 ± 0.0004 Å |
| α | 105.633 ± 0.004° |
| β | 99.971 ± 0.003° |
| γ | 104.961 ± 0.003° |
| Cell volume | 852.75 ± 0.06 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 | 0.1007 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.1303 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/83. |
2238393.cif 2238393.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238393.cif 2238393.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238393.cif 2238393.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238393.cif 2238393.hkl |
| 88238 | 2013-09-04 | cif/ Adding structures of 2238393 via cif-deposit CGI script. |
2238393.cif |
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Users of the data should acknowledge the original authors of the
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