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Information card for entry 2230681
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| Coordinates | 2230681.cif |
|---|---|
| Structure factors | 2230681.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | (<i>E</i>)-6-Bromo-3-{2-[2-(2-methoxybenzylidene)hydrazinyl]- 1,3-thiazol-4-yl}-2<i>H</i>-chromen-2-one |
|---|---|
| Formula | C20 H14 Br N3 O3 S |
| Calculated formula | C20 H14 Br N3 O3 S |
| SMILES | Brc1ccc2oc(=O)c(cc2c1)c1nc(sc1)N/N=C/c1ccccc1OC |
| Title of publication | (<i>E</i>)-6-Bromo-3-{2-[2-(2-methoxybenzylidene)hydrazinyl]-1,3-thiazol-4-yl}-2<i>H</i>-chromen-2-one |
| Authors of publication | Arshad, Afsheen; Osman, Hasnah; Lam, Chan Kit; Hemamalini, Madhukar; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | o1825 |
| a | 7.2802 ± 0.0012 Å |
| b | 19.551 ± 0.003 Å |
| c | 14.0638 ± 0.0018 Å |
| α | 90° |
| β | 113.352 ± 0.007° |
| γ | 90° |
| Cell volume | 1837.8 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0748 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0767 |
| Weighted residual factors for all reflections included in the refinement | 0.0886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| 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. |
2230681.cif 2230681.hkl |
| 181228 | 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 2/23/06. |
2230681.cif 2230681.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. |
2230681.cif 2230681.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230681.cif 2230681.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. | 2230681.cif 2230681.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230681.cif 2230681.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230681.cif 2230681.hkl |
| 22996 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230681 via cif-deposit CGI script. |
2230681.cif |
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Users of the data should acknowledge the original authors of the
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