Information card for entry 7217564

Structure parameters

• Common name: salicylic acid:4,4'-bipyridine Form I
• Formula: C24 H20 N2 O6
• Calculated formula: C24 H20 N2 O6
• SMILES: c1(ccncc1)c1ccncc1.O=C(O)c1c(O)cccc1.O=C(O)c1c(O)cccc1
• Title of publication: Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine
• Authors of publication: Tothadi, Srinu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 7587
• a: 7.86 ± 0.008 Å
• b: 8.308 ± 0.008 Å
• c: 8.547 ± 0.008 Å
• α: 87.812 ± 0.014°
• β: 82.149 ± 0.003°
• γ: 65.9 ± 0.014°
• Cell volume: 504.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216707
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No