Information card for entry 7150493

Structure parameters

• Chemical name: N,N'-bis(2-pyridyl)-1,4-diaminobenzene 1,4-benzenedicarboxylic acid
• Formula: C24 H20 N4 O4
• Calculated formula: C24 H20 N4 O4
• SMILES: c1(cccc[nH+]1)Nc1ccc(cc1)Nc1cccc[nH+]1.c1(ccc(cc1)C(=O)[O-])C(=O)[O-]
• Title of publication: Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5
• Authors of publication: Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 8
• Pages of publication: 1425
• a: 7.767 ± 0.0013 Å
• b: 8.8044 ± 0.0017 Å
• c: 9.1959 ± 0.0017 Å
• α: 62.048 ± 0.019°
• β: 71.921 ± 0.017°
• γ: 70.707 ± 0.016°
• Cell volume: 515.1 ± 0.19 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: 0.0546
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No