Information card for entry 7212755

Structure parameters

• Chemical name: AR-1g-15 2-aminopyridine, HOOC-(CH2)8-COOH
• Formula: C20 H30 N4 O4
• Calculated formula: C20 H30 N4 O4
• SMILES: c1(cccc[nH+]1)N.C(=O)(CCCCCCCCC(=O)[O-])[O-].c1(cccc[nH+]1)N
• Title of publication: Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation
• Authors of publication: Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4231
• a: 8.2382 ± 0.0006 Å
• b: 7.3603 ± 0.0005 Å
• c: 17.7902 ± 0.0011 Å
• α: 90°
• β: 102.979 ± 0.003°
• γ: 90°
• Cell volume: 1051.16 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No