Information card for entry 2230870

Structure parameters

• Chemical name: 2,2'-[Naphthalene-1,5-diylbis(nitrilomethanylylidene)]diphenol
• Formula: C24 H18 N2 O2
• Calculated formula: C24 H18 N2 O2
• SMILES: Oc1ccccc1/C=N/c1cccc2c1cccc2/N=C/c1ccccc1O
• Title of publication: 2,2'-[Naphthalene-1,5-diylbis(nitrilomethanylylidene)]diphenol
• Authors of publication: Karthikeyan, S.; Muthukumaran, J.; Krishna, R.; Manimaran, Bala.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1765 - o1766
• a: 3.851 ± 0.0009 Å
• b: 19.395 ± 0.006 Å
• c: 11.796 ± 0.002 Å
• α: 90°
• β: 95.85 ± 0.03°
• γ: 90°
• Cell volume: 876.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.1921
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes