Information card for entry 2023415

Structure parameters

• Chemical name: 4-Fluorobenzo[<i>c</i>][1,2,5]selenadiazol-1-ium chloride
• Formula: C6 H4 Cl F N2 Se
• Calculated formula: C6 H4 Cl F N2 Se
• SMILES: [se]1nc2c([nH+]1)cccc2F.[Cl-]
• Title of publication: Synthesis, crystal structure, Hirshfeld surface and crystal void analysis of 4-fluoro-benzo[<i>c</i>][1,2,5]selena-diazol-1-ium chloride.
• Authors of publication: Gurbanov, Atash V.; Hökelek, Tuncer; Mammadova, Gunay Z.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 3
• Pages of publication: 252 - 256
• a: 6.889 ± 0.004 Å
• b: 7.25 ± 0.005 Å
• c: 15.183 ± 0.01 Å
• α: 90°
• β: 90.9 ± 0.03°
• γ: 90°
• Cell volume: 758.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0325
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No