Information card for entry 7150492

Structure parameters

• Chemical name: N,N'-bis(2-pyridyl)-1,4-diaminobenzene squaric acid co-crystal
• Formula: C20 H16 N4 O4
• Calculated formula: C20 H16 N4 O4
• SMILES: c1(cccc[nH+]1)Nc1ccc(cc1)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: 3.842 ± 0.001 Å
• b: 9.062 ± 0.002 Å
• c: 12.098 ± 0.002 Å
• α: 87.23 ± 0.03°
• β: 81.25 ± 0.03°
• γ: 78.18 ± 0.03°
• Cell volume: 407.41 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0693
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No