Information card for entry 7251400

Structure parameters

• Chemical name: Aminocaproic acid oxalate hemi trihydrate
• Formula: C16 H36 N2 O15
• Calculated formula: C16 H36 N2 O15
• 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: 30.203 ± 0.004 Å
• b: 5.6916 ± 0.0008 Å
• c: 14.254 ± 0.002 Å
• α: 90°
• β: 99.433 ± 0.006°
• γ: 90°
• Cell volume: 2417.2 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No