Information card for entry 2023581

Structure parameters

• Common name: 5-[(4-Fluorobenzyl)amino]isophthalic acid
• Chemical name: 5-{[(4-Fluorophenyl)methyl]amino}benzene-1,3-dicarboxylic acid
• Formula: C15 H12 F N O4
• Calculated formula: C15 H12 F N O4
• Title of publication: Synthesis and structure of 5-[(4-fluoro-benz-yl)amino]-isophthalic acid featuring O-H⋯O and N-H⋯π inter-actions.
• Authors of publication: Gurbanov, Atash V.; Akkurt, Mehmet; Karmakar, Anirban; Manahelohe, Gizachew Mulugeta
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 10
• Pages of publication: 1201 - 1204
• a: 8.4674 ± 0.0009 Å
• b: 9.2193 ± 0.0011 Å
• c: 9.2749 ± 0.0011 Å
• α: 102.838 ± 0.004°
• β: 96.181 ± 0.004°
• γ: 108.027 ± 0.004°
• Cell volume: 659.01 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No