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Information card for entry 2241554
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| Coordinates | 2241554.cif |
|---|---|
| Structure factors | 2241554.hkl |
| Original paper (by DOI) | HTML |
| Common name | 1,2-Bis((benzylsulfanyl){2-[1-(2-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}methyl)disulfane |
|---|---|
| Chemical name | 2-[1-(2-{(Benzylsulfanyl)[((benzylsulfanyl){2-[1-(2-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}methyl)disulfanyl]methylidene}hydrazin-1-ylidene)ethyl]phenol |
| Formula | C32 H30 N4 O2 S4 |
| Calculated formula | C32 H30 N4 O2 S4 |
| SMILES | S(/C(SS\C(SCc1ccccc1)=N/N=C(C)/c1c(O)cccc1)=N/N=C(/c1c(O)cccc1)C)Cc1ccccc1 |
| Title of publication | Crystal structure of 1,2-bis((benzylsulfanyl){2-[1-(2-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}methyl)disulfane |
| Authors of publication | Islam, M. A. A. A. A.; Sheikh, M. C.; Islam, M. H.; Miyatake, R.; Zangrando, E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 337 - 339 |
| a | 10.5556 ± 0.0003 Å |
| b | 11.0236 ± 0.0003 Å |
| c | 15.5261 ± 0.0005 Å |
| α | 75.9922 ± 0.0008° |
| β | 71.9673 ± 0.0007° |
| γ | 65.5889 ± 0.0007° |
| Cell volume | 1550.67 ± 0.08 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181916 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241554.cif 2241554.hkl |
| 176674 | 2016-02-18 | cif/ hkl/ Adding structures of 2241554 via cif-deposit CGI script. |
2241554.cif 2241554.hkl |
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Users of the data should acknowledge the original authors of the
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