Information card for entry 7249722

Structure parameters

• Formula: C8 H12 Cl N
• Calculated formula: C8 H12 Cl N
• Title of publication: Helical ammonium halide framework constituting polar conglomerate crystals of 2-ethylanilinium chloride
• Authors of publication: Tashiro, Shohei
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 729 - 735
• a: 21.7201 ± 0.0011 Å
• b: 21.7201 ± 0.0011 Å
• c: 4.8629 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1986.78 ± 0.19 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No