Information card for entry 2022379

Structure parameters

• Chemical name: Bis(2-aminophenyl) selenide
• Formula: C12 H12 N2 Se
• Calculated formula: C12 H12 N2 Se
• SMILES: [Se](c1ccccc1N)c1ccccc1N
• Title of publication: Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis
• Authors of publication: Saravanan, Raju; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 6
• a: 8.4557 ± 0.0002 Å
• b: 7.053 ± 0.0002 Å
• c: 18.0521 ± 0.0005 Å
• α: 90°
• β: 92.643 ± 0.003°
• γ: 90°
• Cell volume: 1075.45 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes