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Information card for entry 2236899
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| Coordinates | 2236899.cif |
|---|---|
| Structure factors | 2236899.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 3-(2-Ethyl-2-phenylhydrazin-1-ylidene)indolin-2-one |
|---|---|
| Formula | C16 H15 N3 O |
| Calculated formula | C16 H15 N3 O |
| SMILES | O=C1Nc2ccccc2C\1=N\N(c1ccccc1)CC |
| Title of publication | 3-(2-Ethyl-2-phenylhydrazin-1-ylidene)indolin-2-one |
| Authors of publication | Ashiq, Uzma; Jamal, Rifat Ara; Ismail, Hina; Khan, Khalid Mohammed; Yousuf, Sammer |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | o3473 |
| a | 9.463 ± 0.002 Å |
| b | 17.303 ± 0.004 Å |
| c | 8.5403 ± 0.0018 Å |
| α | 90° |
| β | 104.427 ± 0.005° |
| γ | 90° |
| Cell volume | 1354.3 ± 0.5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0681 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2236899.cif 2236899.hkl |
| 181290 | 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 2/23/68. |
2236899.cif 2236899.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. |
2236899.cif 2236899.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236899.cif 2236899.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236899.cif 2236899.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236899.cif 2236899.hkl |
| 71162 | 2013-01-18 | cif/ Adding structures of 2236899 via cif-deposit CGI script. |
2236899.cif |
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Users of the data should acknowledge the original authors of the
structural data.