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Information card for entry 2237485
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| Coordinates | 2237485.cif |
|---|---|
| Structure factors | 2237485.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | 2,2-Dibenzylhydrazin-1-ium chloride |
|---|---|
| Formula | C14 H17 Cl N2 |
| Calculated formula | C14 H17 Cl N2 |
| SMILES | [Cl-].N([NH3+])(Cc1ccccc1)Cc1ccccc1 |
| Title of publication | 2,2-Dibenzylhydrazin-1-ium chloride |
| Authors of publication | Tayamon, Shahedeh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | o382 |
| a | 5.6155 ± 0.0004 Å |
| b | 9.9804 ± 0.0007 Å |
| c | 11.7302 ± 0.0009 Å |
| α | 79.532 ± 0.006° |
| β | 78.508 ± 0.006° |
| γ | 83.55 ± 0.006° |
| Cell volume | 631.54 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0565 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1199 |
| Weighted residual factors for all reflections included in the refinement | 0.1294 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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. |
2237485.cif 2237485.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. |
2237485.cif 2237485.hkl |
| 181296 | 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 2/23/74. |
2237485.cif 2237485.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2237485.cif 2237485.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237485.cif 2237485.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237485.cif 2237485.hkl |
| 78777 | 2013-04-02 | cif/ Adding structures of 2237485 via cif-deposit CGI script. |
2237485.cif |
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Users of the data should acknowledge the original authors of the
structural data.