Information card for entry 7150484

Structure parameters

• Chemical name: N,N'-bis(2-pyridyl)-1,3-diaminobenzene oxalic acid
• Formula: C18 H16 N4 O4
• Calculated formula: C18 H16 N4 O4
• SMILES: c1(ccccn1)Nc1cccc(c1)Nc1ccccn1.C(=O)(C(=O)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: 7.281 ± 0.003 Å
• b: 24.097 ± 0.006 Å
• c: 8.919 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1564.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No