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Information card for entry 2240502
Preview
| Coordinates | 2240502.cif |
|---|---|
| Structure factors | 2240502.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2-((1<i>E</i>)-{2-[Bis(2-methylbenzylsulfanyl)methylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol |
|---|---|
| Formula | C25 H26 N2 O2 S2 |
| Calculated formula | C25 H26 N2 O2 S2 |
| SMILES | S(C(SCc1c(cccc1)C)=N/N=C/c1c(O)c(OC)ccc1)Cc1c(cccc1)C |
| Title of publication | Crystal structure of 2-((1<i>E</i>)-{2-[bis(2-methylbenzylsulfanyl)methylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol |
| Authors of publication | Yusof, Enis Nadia Md; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | o242 - o243 |
| a | 19.7865 ± 0.0007 Å |
| b | 6.86 ± 0.0002 Å |
| c | 16.1805 ± 0.0005 Å |
| α | 90° |
| β | 94.88 ± 0.003° |
| γ | 90° |
| Cell volume | 2188.31 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240502.cif 2240502.hkl |
| 181325 | 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 2/24/05. |
2240502.cif 2240502.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. |
2240502.cif 2240502.hkl |
| 134095 | 2015-03-19 | cif/ hkl/ Adding structures of 2240502 via cif-deposit CGI script. |
2240502.cif 2240502.hkl |
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