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Information card for entry 2225487
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| Coordinates | 2225487.cif |
|---|---|
| Structure factors | 2225487.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>'-[(<i>E</i>)-4-(Diethylamino)benzylidene]-4-nitrobenzohydrazide monohydrate |
|---|---|
| Formula | C18 H22 N4 O4 |
| Calculated formula | C18 H22 N4 O4 |
| SMILES | O.O=N(=O)c1ccc(cc1)C(=O)N/N=C/c1ccc(N(CC)CC)cc1 |
| Title of publication | <i>N</i>'-[(<i>E</i>)-4-(Diethylamino)benzylidene]-4-nitrobenzohydrazide monohydrate |
| Authors of publication | Ahmad, Tanveer; Zia-ur-Rehman, Muhammad; Siddiqui, Hamid Latif; Rizvi, Syed Umar Farooq; Parvez, Masood |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | o1007 - o1008 |
| a | 38.3142 ± 0.0012 Å |
| b | 7.4563 ± 0.0003 Å |
| c | 12.6332 ± 0.0005 Å |
| α | 90° |
| β | 98.215 ± 0.002° |
| γ | 90° |
| Cell volume | 3572 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.079 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.122 |
| Weighted residual factors for all reflections included in the refinement | 0.138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2225487.cif 2225487.hkl |
| 181175 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/54. |
2225487.cif 2225487.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225487.cif 2225487.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2225487.cif 2225487.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225487.cif 2225487.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. | 2225487.cif 2225487.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225487.cif 2225487.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2225487.cif 2225487.hkl |
| 1144 | 2010-05-03 | cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition. |
2225487.cif |
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