Information card for entry 7150488

Structure parameters

• Chemical name: N,N'-bis(2-pyridyl)-1,3-diaminobenzene 1,4-benzeneicarboxylic acid 2:1
• Formula: C20 H17 N4 O2
• Calculated formula: C20 H17 N4 O2
• 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: 10.268 ± 0.002 Å
• b: 15.529 ± 0.003 Å
• c: 11.158 ± 0.002 Å
• α: 90°
• β: 105.47 ± 0.03°
• γ: 90°
• Cell volume: 1714.7 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No