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Information card for entry 2235393
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| Coordinates | 2235393.cif |
|---|---|
| Structure factors | 2235393.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | <i>N</i>'-(3-Fluorobenzylidene)-2-methylbenzohydrazide |
|---|---|
| Formula | C15 H13 F N2 O |
| Calculated formula | C15 H13 F N2 O |
| SMILES | Fc1cc(ccc1)/C=N/NC(=O)c1c(cccc1)C |
| Title of publication | <i>N</i>'-(3-Fluorobenzylidene)-2-methylbenzohydrazide |
| Authors of publication | Song, Ying; Zhao, Jian-Long; Wang, Jan-Gang; Lu, Fei; Lu, Hong; Li, Shi-Peng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | o2074 |
| a | 7.8516 ± 0.0013 Å |
| b | 8.1466 ± 0.0013 Å |
| c | 21.158 ± 0.003 Å |
| α | 86.668 ± 0.002° |
| β | 85.806 ± 0.002° |
| γ | 79.772 ± 0.002° |
| Cell volume | 1326.9 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1176 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2235393.cif 2235393.hkl |
| 201979 | 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. |
2235393.cif 2235393.hkl |
| 181275 | 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 2/23/53. |
2235393.cif 2235393.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. |
2235393.cif 2235393.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235393.cif 2235393.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. | 2235393.cif 2235393.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235393.cif 2235393.hkl |
| 63851 | 2012-08-10 | cif/ Adding structures of 2235393 via cif-deposit CGI script. |
2235393.cif |
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Users of the data should acknowledge the original authors of the
structural data.