Information card for entry 1574766

Structure parameters

• Chemical name: (3<i>Z</i>)-4-Methyl-9-(4-methylbenzenesulfonyl)-<i>N</i>-phenyl-3<i>H</i>,9<i>H</i>-thiopyrano[3,4-<i>b</i>]indol-3-imine
• Formula: C25 H20 N2 O2 S2
• Calculated formula: C25 H20 N2 O2 S2
• Title of publication: (3Z)-4-Methyl-9-(4-methylbenzenesulfonyl)-N-phenyl-3H,9H-thiopyrano[3,4-b]indol-3-imine
• Authors of publication: Dassonneville, Benjamin; Detert, Heiner; Schollmeyer, Dieter
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 5
• Pages of publication: x250475
• a: 9.1997 ± 0.0006 Å
• b: 15.1692 ± 0.0008 Å
• c: 16.7138 ± 0.0009 Å
• α: 110.129 ± 0.0013°
• β: 100.749 ± 0.0016°
• γ: 94.2372 ± 0.0015°
• Cell volume: 2127.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No