Information card for entry 7251402

Structure parameters

• Chemical name: Aminomethyl benzoic acid orotate
• Formula: C13 H13 N3 O6
• Calculated formula: C13 H13 N3 O6
• 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: 5.8889 ± 0.0006 Å
• b: 10.2677 ± 0.001 Å
• c: 11.2466 ± 0.001 Å
• α: 102.25 ± 0.003°
• β: 93.673 ± 0.003°
• γ: 91.141 ± 0.004°
• Cell volume: 662.79 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No