Information card for entry 7247078

Structure parameters

• Formula: C13 H11 N O2
• Calculated formula: C13 H11 N O2
• Title of publication: Solvatomorphism and first-time observation of acid–acid catemer in 4-phenylamino-benzoic acids
• Authors of publication: Liu, Xiaoting; Cui, Jingliang; Zeng, Qun; Fang, Liwen; Liang, Peng-Yu; Zhou, Pan-Pan; Parkin, Sean; Li, Tonglei; Ruan, Shigang; Long, Sihui
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 30
• Pages of publication: 21021 - 21035
• a: 5.8122 ± 0.0006 Å
• b: 29.731 ± 0.003 Å
• c: 6.4123 ± 0.0007 Å
• α: 90°
• β: 106.167 ± 0.011°
• γ: 90°
• Cell volume: 1064.2 ± 0.2 ų
• Cell temperature: 294.9 ± 0.5 K
• Ambient diffraction temperature: 294.9 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No