Information card for entry 7150490

Structure parameters

• Chemical name: N,N'-bis(2-pyridyl)-1,4-diaminobenzene malonic acid co-crystal
• Formula: C19 H18 N4 O4
• Calculated formula: C19 H18 N4 O4
• SMILES: c1([nH+]cccc1)Nc1ccc(Nc2cccc[nH+]2)cc1.C(=O)(CC(=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: 17.29 ± 0.002 Å
• b: 4.0427 ± 0.0005 Å
• c: 24.72 ± 0.003 Å
• α: 90°
• β: 93.121 ± 0.011°
• γ: 90°
• Cell volume: 1725.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No