Information card for entry 7244571

Structure parameters

• Chemical name: 2-amino 4-methylpyridinium Glutaric acid (C11 H16 N2 O4)
• Formula: C11 H16 N2 O4
• Calculated formula: C11 H16 N2 O4
• SMILES: [nH+]1ccc(cc1N)C.O=C([O-])CCCC(=O)O
• Title of publication: Synthesis, crystal growth, structural and physico-chemical properties of an Organic single crystal (C11H16N2O4) for fast scintillation and NLO applications
• Authors of publication: D, Joseph Daniel; P., Karuppasamy; Phan, Vuong Quoc; Kim, Hongjoo
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 5.509 ± 0.006 Å
• b: 9.973 ± 0.01 Å
• c: 22.6 ± 0.03 Å
• α: 102.25 ± 0.05°
• β: 91.01 ± 0.06°
• γ: 94.03 ± 0.03°
• Cell volume: 1210 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1409
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No