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Information card for entry 2243482
Preview
Coordinates | 2243482.cif |
---|---|
Structure factors | 2243482.hkl |
Original IUCr paper | HTML |
Chemical name | 2-[(1<i>E</i>)-[(<i>Z</i>)-2-({[(1<i>Z</i>)-[(<i>E</i>)-2-[(2-Hydroxyphenyl)methylidene]hydrazin-1-ylidene]({[(4-methylphenyl)methyl]sulfanyl})methyl]disulfanyl}({[(4-methylphenyl)methyl]sulfanyl})methylidene)hydrazin-1-ylidene]methyl]phenol |
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Formula | C32 H30 N4 O2 S4 |
Calculated formula | C32 H30 N4 O2 S4 |
SMILES | C(=N/N=C/c1c(O)cccc1)(\SS/C(=N/N=C/c1c(cccc1)O)SCc1ccc(cc1)C)SCc1ccc(cc1)C |
Title of publication | 2-[(1<i>E</i>)-[(<i>Z</i>)-2-({[(1<i>Z</i>)-[(<i>E</i>)-2-[(2-Hydroxyphenyl)methylidene]hydrazin-1-ylidene]({[(4-methylphenyl)methyl]sulfanyl})methyl]disulfanyl}({[(4-methylphenyl)methyl]sulfanyl})methylidene)hydrazin-1-ylidene]methyl]phenol: crystal structure, Hirshfeld surface analysis and computational study |
Authors of publication | Paulus, Georgiana; Kwong, Huey Chong; Crouse, Karen A.; Tiekink, Edward R. T. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2020 |
Journal volume | 76 |
Journal issue | 8 |
Pages of publication | 1245 - 1250 |
a | 15.4653 ± 0.0004 Å |
b | 7.9639 ± 0.0002 Å |
c | 24.8116 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3055.9 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0413 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.0989 |
Weighted residual factors for all reflections included in the refinement | 0.1022 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2243482.html
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