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Information card for entry 2240267
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| Coordinates | 2240267.cif |
|---|---|
| Structure factors | 2240267.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-3-(4-Methoxybenzylidene)-2,3-dihydrobenzo[<i>b</i>][1,4]thiazepin-4(5<i>H</i>)-one |
|---|---|
| Formula | C17 H15 N O2 S |
| Calculated formula | C17 H15 N O2 S |
| Title of publication | Crystal structure of (<i>Z</i>)-3-(4-methoxybenzylidene)-2,3-dihydrobenzo[<i>b</i>][1,4]thiazepin-4(5<i>H</i>)-one |
| Authors of publication | Vinayagam, V.; Mohan Raj, J.; Murugavel, S.; Selvakumar, R.; Bakthadoss, M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o21 - o22 |
| a | 21.434 ± 0.005 Å |
| b | 5.715 ± 0.004 Å |
| c | 23.87 ± 0.005 Å |
| α | 90° |
| β | 101.091 ± 0.004° |
| γ | 90° |
| Cell volume | 2869 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1201 |
| Weighted residual factors for all reflections included in the refinement | 0.1389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240267.cif 2240267.hkl |
| 181322 | 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 2/24/02. |
2240267.cif 2240267.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. |
2240267.cif 2240267.hkl |
| 128702 | 2014-12-14 | cif/ hkl/ Adding structures of 2240267 via cif-deposit CGI script. |
2240267.cif 2240267.hkl |
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Users of the data should acknowledge the original authors of the
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