Information card for entry 8107586

Structure parameters

• Formula: C13 H10 Cl N O
• Calculated formula: C13 H10 Cl N O
• Title of publication: Crystal structure of N-(4′-chloro-[1,1′-biphenyl]-2-yl)formamide, C13H10ClNO
• Authors of publication: Du, Mo; Xu, Xiaona; Tong, Hongjuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 871 - 873
• a: 4.3011 ± 0.0007 Å
• b: 11.2236 ± 0.0019 Å
• c: 11.776 ± 0.002 Å
• α: 90°
• β: 94.281 ± 0.005°
• γ: 90°
• Cell volume: 566.89 ± 0.16 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No