Information card for entry 7206492

Structure parameters

• Chemical name: bis(N'-(diphenylmethylene)isonicotinohydrazide) . (3-hydroxybenzoic acid)
• Formula: C45 H36 N6 O5
• Calculated formula: C45 H36 N6 O5
• Title of publication: Covalent assistance in supramolecular synthesis: in situ modification and masking of the hydrogen bonding functionality of the supramolecular reagent isoniazid in co-crystals
• Authors of publication: Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5692
• a: 9.8338 ± 0.0009 Å
• b: 10.2475 ± 0.0009 Å
• c: 10.8863 ± 0.001 Å
• α: 104.295 ± 0.008°
• β: 112.784 ± 0.008°
• γ: 103.37 ± 0.008°
• Cell volume: 912.17 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No