Information card for entry 7150495

Structure parameters

• Chemical name: N,N'-bis(2-pyridyl)-4,4'-oxybis(aminobenzene) 1,4-benzenedicarboxylic acid hydrate 1:1:1
• Formula: C30 H26 N4 O6
• Calculated formula: C30 H26 N4 O6
• SMILES: [nH+]1c(cccc1)Nc1ccc(cc1)Oc1ccc(cc1)Nc1[nH+]cccc1.O=C([O-])c1ccc(cc1)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: 10.3442 ± 0.0007 Å
• b: 11.7028 ± 0.0009 Å
• c: 12.6687 ± 0.0009 Å
• α: 78.461 ± 0.006°
• β: 65.91 ± 0.006°
• γ: 73.925 ± 0.006°
• Cell volume: 1338.68 ± 0.18 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No