Information card for entry 2242909

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-[(Ethane-1,2-diyl)bis(azanediylcarbonothioyl)]bis(benzamide)
• Formula: C18 H18 N4 O2 S2
• Calculated formula: C18 H18 N4 O2 S2
• SMILES: S=C(NCCNC(=S)NC(=O)c1ccccc1)NC(=O)c1ccccc1
• Title of publication: Crystal structure of <i>N</i>,<i>N</i>'-[(ethane-1,2-diyl)bis(azanediylcarbonothioyl)]bis(benzamide)
• Authors of publication: Samb, Issa; Gaye, Nango; Sylla-Gueye, Rokhaya; Thiam, Elhadj Ibrahima; Gaye, Mohamed; Retailleau, Pascal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 642 - 645
• a: 11.225 ± 0.0006 Å
• b: 7.2547 ± 0.0005 Å
• c: 11.1397 ± 0.0006 Å
• α: 90°
• β: 100.978 ± 0.005°
• γ: 90°
• Cell volume: 890.55 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes