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Information card for entry 2238509
Preview
| Coordinates | 2238509.cif |
|---|---|
| Structure factors | 2238509.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>Z</i>)-<i>N</i>-(2,6-Diisopropylphenyl)-4-nitrobenzimidoyl chloride |
|---|---|
| Formula | C19 H21 Cl N2 O2 |
| Calculated formula | C19 H21 Cl N2 O2 |
| SMILES | c1(ccc(cc1)C(=N\c1c(cccc1C(C)C)C(C)C)\Cl)N(=O)=O |
| Title of publication | (<i>Z</i>)-<i>N</i>-(2,6-Diisopropylphenyl)-4-nitrobenzimidoyl chloride |
| Authors of publication | El-Hiti, Gamal A.; Smith, Keith; Jones, Dyfyr Heulyn; Masmali, Ali; Kariuki, Benson M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | o1384 |
| a | 8.2988 ± 0.0004 Å |
| b | 10.4667 ± 0.0003 Å |
| c | 10.9665 ± 0.0003 Å |
| α | 75.568 ± 0.002° |
| β | 85.411 ± 0.002° |
| γ | 74.145 ± 0.002° |
| Cell volume | 887.33 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0879 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for significantly intense reflections | 0.1476 |
| Weighted residual factors for all reflections included in the refinement | 0.1732 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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. |
2238509.cif 2238509.hkl |
| 181307 | 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 2/23/85. |
2238509.cif 2238509.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. |
2238509.cif 2238509.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238509.cif 2238509.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238509.cif 2238509.hkl |
| 88646 | 2013-10-02 | cif/ Adding structures of 2238509 via cif-deposit CGI script. |
2238509.cif |
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Users of the data should acknowledge the original authors of the
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