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Information card for entry 2240368
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| Coordinates | 2240368.cif |
|---|---|
| Structure factors | 2240368.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>E</i>)-<i>N</i>'-{[(1<i>R</i>,3<i>R</i>)-3-Isopropyl-1-methyl-2-oxocyclopentyl]methylidene}-4-methylbenzenesulfonohydrazide |
|---|---|
| Formula | C17 H24 N2 O3 S |
| Calculated formula | C17 H24 N2 O3 S |
| SMILES | S(=O)(=O)(N/N=C/[C@@]1(C(=O)[C@@H](C(C)C)CC1)C)c1ccc(C)cc1 |
| Title of publication | Crystal structure of (<i>E</i>)-<i>N</i>'-{[(1<i>R</i>,3<i>R</i>)-3-isopropyl-1-methyl-2-oxocyclopentyl]methylidene}-4-methylbenzenesulfonohydrazide |
| Authors of publication | Tymann, David; Dragon, Dina Christina; Golz, Christopher; Preut, Hans; Strohmann, Carsten; Hiersemann, Martin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o99 - o100 |
| a | 6.6198 ± 0.0008 Å |
| b | 16.8318 ± 0.0018 Å |
| c | 7.9506 ± 0.0009 Å |
| α | 90° |
| β | 97.141 ± 0.011° |
| γ | 90° |
| Cell volume | 879.01 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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 |
2240368.cif 2240368.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. |
2240368.cif 2240368.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. |
2240368.cif 2240368.hkl |
| 129518 | 2015-01-11 | cif/ hkl/ Adding structures of 2240368 via cif-deposit CGI script. |
2240368.cif 2240368.hkl |
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Users of the data should acknowledge the original authors of the
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