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Information card for entry 2229314
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| Coordinates | 2229314.cif |
|---|---|
| Structure factors | 2229314.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Chloro-<i>N</i>-[4-(3-methyl-3-phenylcyclobutyl)-1,3-thiazol-2-yl]- <i>N</i>'-(naphthalen-1-ylmethylidene)acetohydrazide |
|---|---|
| Formula | C27 H24 Cl N3 O S |
| Calculated formula | C27 H24 Cl N3 O S |
| SMILES | ClCC(=O)N(/N=C/c1cccc2c1cccc2)c1scc(n1)C1CC(c2ccccc2)(C)C1 |
| Title of publication | 2-Chloro-<i>N</i>-[4-(3-methyl-3-phenylcyclobutyl)-1,3-thiazol-2-yl]-<i>N</i>'-(naphthalen-1-ylmethylidene)acetohydrazide |
| Authors of publication | Inkaya, Ersin; Dinçer, Muharrem; Çukurovalı, Alaaddin; Yılmaz, Engin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o310 |
| a | 7.498 ± 0.005 Å |
| b | 12.823 ± 0.005 Å |
| c | 24.924 ± 0.005 Å |
| α | 90° |
| β | 92.185 ± 0.005° |
| γ | 90° |
| Cell volume | 2394.6 ± 1.9 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2334 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.1096 |
| Weighted residual factors for all reflections included in the refinement | 0.1557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.896 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181214 (current) | 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 2/22/93. |
2229314.cif 2229314.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. |
2229314.cif 2229314.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229314.cif 2229314.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. | 2229314.cif 2229314.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229314.cif 2229314.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229314.cif 2229314.hkl |
| 12407 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229314 via cif-deposit CGI script. |
2229314.cif |
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Users of the data should acknowledge the original authors of the
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