Information card for entry 4504913

Structure parameters

• Common name: 2-amino-5-methylpyridinium 2,6-naphthalenedicarboxylate 2:1
• Chemical name: 2-amino-5-methylpyridinium 2,6-naphthalenedicarboxylate 2:1
• Formula: C24 H24 N4 O4
• Calculated formula: C24 H24 N4 O4
• SMILES: c1([nH+]cc(cc1)C)N.c1(cc2c(cc1)cc(cc2)C(=O)[O-])C(=O)[O-].c1(ccc(c[nH+]1)C)N
• Title of publication: The 2-Aminopyridinium-carboxylate Supramolecular Heterosynthon: A Robust Motif for Generation of Multiple-Component Crystals
• Authors of publication: Bis, Joanna A.; Zaworotko, Michael J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1169
• a: 5.834 ± 0.002 Å
• b: 16.26 ± 0.007 Å
• c: 10.985 ± 0.004 Å
• α: 90°
• β: 92.141 ± 0.007°
• γ: 90°
• Cell volume: 1041.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No