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Information card for entry 2229367
Preview
Coordinates | 2229367.cif |
---|---|
Structure factors | 2229367.hkl |
Original IUCr paper | HTML |
Chemical name | 4-[(1,3-Dioxo-2,3-dihydro-1<i>H</i>-benzo[<i>de</i>]isoquinolin-2-yl)methyl]- <i>N</i>'-[(<i>E</i>)-4-nitrobenzylidene]benzenesulfonohydrazide dimethyl sulfoxide monosolvate |
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Formula | C28 H24 N4 O7 S2 |
Calculated formula | C28 H24 N4 O7 S2 |
SMILES | S(=O)(=O)(N/N=C/c1ccc(cc1)N(=O)=O)c1ccc(CN2C(=O)c3cccc4cccc(c34)C2=O)cc1.S(=O)(C)C |
Title of publication | 4-[(1,3-Dioxo-2,3-dihydro-1<i>H</i>-benzo[<i>de</i>]isoquinolin-2-yl)methyl]-<i>N</i>'-[(<i>E</i>)-4-nitrobenzylidene]benzenesulfonohydrazide dimethyl sulfoxide monosolvate |
Authors of publication | Bortoluzzi, Adailton J.; Policarpi, Everton B.; Mora, Cristiano; Oliveira, Kely N.; Nunes, Ricardo J. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 3 |
Pages of publication | o627 - o628 |
a | 9.152 ± 0.001 Å |
b | 11.971 ± 0.001 Å |
c | 13.91 ± 0.001 Å |
α | 107.268 ± 0.007° |
β | 101.789 ± 0.007° |
γ | 96.319 ± 0.008° |
Cell volume | 1400.6 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.1046 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.138 |
Weighted residual factors for all reflections included in the refinement | 0.1626 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/2229367.html
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