Information card for entry 7251394

Structure parameters

• Chemical name: Aminomethyl benzoic acid 2-chloro-4-nitrobenzoate monohydrate
• Formula: C15 H15 Cl N2 O7
• Calculated formula: C15 H15 Cl N2 O7
• Title of publication: Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms
• Authors of publication: Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 8.3098 ± 0.0003 Å
• b: 9.6361 ± 0.0004 Å
• c: 10.8666 ± 0.0004 Å
• α: 96.5031 ± 0.0013°
• β: 106.955 ± 0.0013°
• γ: 101.119 ± 0.0013°
• Cell volume: 803.26 ± 0.05 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No