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Information card for entry 2240395
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| Coordinates | 2240395.cif |
|---|---|
| Structure factors | 2240395.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene |
|---|---|
| Formula | C23 H20 Br N O3 S |
| Calculated formula | C23 H20 Br N O3 S |
| Title of publication | Crystal structure of 3-benzoyl-2-[(5-bromo-2-hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene |
| Authors of publication | Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, H. S.; Glidewell, Christopher; Byrappa, K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 176 - 179 |
| a | 4.81267 ± 0.00018 Å |
| b | 22.1919 ± 0.0008 Å |
| c | 18.7012 ± 0.0007 Å |
| α | 90° |
| β | 97.392 ± 0.003° |
| γ | 90° |
| Cell volume | 1980.73 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Weighted residual factors for all reflections included in the refinement | 0.1082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240395.cif 2240395.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240395.cif 2240395.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240395.cif 2240395.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2240395.cif 2240395.hkl |
| 129972 | 2015-01-18 | cif/ hkl/ Adding structures of 2240395 via cif-deposit CGI script. |
2240395.cif 2240395.hkl |
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Users of the data should acknowledge the original authors of the
structural data.