Information card for entry 2103275

Structure parameters

• Chemical name: N,N'-Dithiodiphthalimide hemi(chlorobenzene) solvate
• Formula: C19 H10.5 Cl0.5 N2 O4 S2
• Calculated formula: C19 H10.5 Cl0.5 N2 O4 S2
• SMILES: S(N1C(=O)c2c(C1=O)cccc2)SN1C(=O)c2c(C1=O)cccc2.S(N1C(=O)c2c(C1=O)cccc2)SN1C(=O)c2c(C1=O)cccc2.Clc1ccccc1
• Title of publication: Polymorphs and pseudopolymorphs of <i>N</i>,<i>N</i>'-dithiobisphthalimide
• Authors of publication: Farrell, Dorcas M. M.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Zakaria, Choudhury M.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: 289 - 299
• a: 7.6257 ± 0.001 Å
• b: 10.3369 ± 0.0002 Å
• c: 11.6392 ± 0.0002 Å
• α: 81.544 ± 0.0008°
• β: 77.86 ± 0.0008°
• γ: 78.848 ± 0.0013°
• Cell volume: 874.59 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes