Information card for entry 7251662

Structure parameters

• Formula: C9 H12 Cl N O2
• Calculated formula: C9 H12 Cl N O2
• Title of publication: Imidazolium versus phenylalaninium hybrid salts: supramolecular control of electronic, nonlinear optical and bioactive properties
• Authors of publication: Walha, Sandra; Hussein, Rageh K.; Roisnel, Thierry; Ben Ahmed, Ali
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 10230 - 10242
• a: 5.383 ± 0.0017 Å
• b: 7.045 ± 0.002 Å
• c: 27.746 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1052.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No