Information card for entry 7245343

Structure parameters

• Common name: NCLBA
• Chemical name: N-chloro-N'-(p-fluorophenyl)-benzamidine
• Formula: C13 H10 Cl F N2
• Calculated formula: C13 H10 Cl F N2
• Title of publication: Accurate experimental characterization of the labile N–Cl bond in N-chloro-N'-(p-fluorophenyl)-benzamidine crystal at 17.5 K
• Authors of publication: Destro, Riccardo; Barzaghi, Mario; Soave, Raffaella; Roversi, Pietro; Lo Presti, Leonardo
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 10.0227 ± 0.0003 Å
• b: 10.0227 ± 0.0003 Å
• c: 9.8795 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 859.48 ± 0.05 ų
• Cell temperature: 17.5 ± 0.9 K
• Ambient diffraction temperature: 17.5 ± 0.9 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0159
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.014
• Weighted residual factors for all reflections included in the refinement: 0.014
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9652
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No