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Information card for entry 2233302
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| Coordinates | 2233302.cif |
|---|---|
| Structure factors | 2233302.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>E</i>)-2-[(3<i>E</i>)-4-Phenylbut-3-en-2-ylidene]hydrazinecarboxamide |
|---|---|
| Formula | C11 H13 N3 O |
| Calculated formula | C11 H13 N3 O |
| SMILES | CC(=N\NC(=O)N)/C=C/c1ccccc1 |
| Title of publication | (2<i>E</i>)-2-[(3<i>E</i>)-4-Phenylbut-3-en-2-ylidene]hydrazinecarboxamide |
| Authors of publication | Samshuddin, S.; Butcher, Ray J.; Yıldırım, Sema Ozturk; Akkurt, Mehmet; Narayana, B.; Yathirajan, H. S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o76 - o77 |
| a | 15.1094 ± 0.0008 Å |
| b | 24.4445 ± 0.0011 Å |
| c | 7.0368 ± 0.0004 Å |
| α | 90° |
| β | 109.908 ± 0.006° |
| γ | 90° |
| Cell volume | 2443.7 ± 0.2 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0673 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1659 |
| Weighted residual factors for all reflections included in the refinement | 0.1763 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181255 (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 2/23/33. |
2233302.cif 2233302.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. |
2233302.cif 2233302.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233302.cif 2233302.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. | 2233302.cif 2233302.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233302.cif 2233302.hkl |
| 32367 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233302 via cif-deposit CGI script. |
2233302.cif |
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Users of the data should acknowledge the original authors of the
structural data.