Information card for entry 7150486

Structure parameters

• Chemical name: N,N'-bis(2-pyridyl)-1,3-diaminobenzene squaric acid
• Formula: C20 H16 N4 O4
• Calculated formula: C20 H16 N4 O4
• SMILES: c1(cccc[nH+]1)Nc1cccc(c1)Nc1cccc[nH+]1.C1([O-])=C([O-])C(=O)C1=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: 7.251 ± 0.004 Å
• b: 24.325 ± 0.005 Å
• c: 9.185 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1620.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1333
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No