Information card for entry 2312587

Structure parameters

• Chemical name: 2,2,4-Trimethyl-8,9-bis(4-methylbenzenesulfonamido)-2,3-dihydro-5<i>H</i>-1,5-benzodiazepine
• Formula: C26 H30 N4 O4 S2
• Calculated formula: C26 H30 N4 O4 S2
• Title of publication: Crystal structures of two unexpected products of vicinal diamines left to crystallize in acetone.
• Authors of publication: Dival, Bruno; Pitinato, Leonardo; Develly, Letícia; Oliveira, Willian X. C.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 9
• a: 30.0416 ± 0.0009 Å
• b: 9.7018 ± 0.0001 Å
• c: 24.0984 ± 0.0007 Å
• α: 90°
• β: 129.744 ± 0.005°
• γ: 90°
• Cell volume: 5400.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes