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Information card for entry 2232448
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| Coordinates | 2232448.cif |
|---|---|
| Structure factors | 2232448.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 4-Chloro-<i>N</i>'-(2-hydroxy-4-methoxybenzylidene)benzohydrazide methanol monosolvate |
|---|---|
| Formula | C16 H17 Cl N2 O4 |
| Calculated formula | C16 H17 Cl N2 O4 |
| SMILES | Clc1ccc(C(=O)N/N=C/c2c(O)cc(OC)cc2)cc1.OC |
| Title of publication | 4-Chloro-<i>N</i>'-(2-hydroxy-4-methoxybenzylidene)benzohydrazide methanol monosolvate |
| Authors of publication | Zhi, Feng; Wang, Rong; Zhang, Yi; Wang, Qiang; Yang, Yi-Lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o2825 |
| a | 6.57 ± 0.002 Å |
| b | 10.343 ± 0.003 Å |
| c | 12.707 ± 0.003 Å |
| α | 100.371 ± 0.002° |
| β | 91.864 ± 0.002° |
| γ | 101.663 ± 0.002° |
| Cell volume | 829.7 ± 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 | 0.0966 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1213 |
| Weighted residual factors for all reflections included in the refinement | 0.1438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 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. |
2232448.cif 2232448.hkl |
| 181246 | 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 2/23/24. |
2232448.cif 2232448.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. |
2232448.cif 2232448.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232448.cif 2232448.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. | 2232448.cif 2232448.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232448.cif 2232448.hkl |
| 31107 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232448 via cif-deposit CGI script. |
2232448.cif |
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Users of the data should acknowledge the original authors of the
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