Information card for entry 2211266

Structure parameters

• Chemical name: (E)-1-[2-(Benzylsulfanyl)phenyldiazenyl]-4-methoxynaphthalene
• Formula: C24 H20 N2 O S
• Calculated formula: C24 H20 N2 O S
• SMILES: S(c1c(/N=N/c2ccc(OC)c3c2cccc3)cccc1)Cc1ccccc1
• Title of publication: (<i>E</i>)-1-[2-(Benzylsulfanyl)phenyldiazenyl]-4-methoxynaphthalene
• Authors of publication: Das, Purak; Biswas, Achintesh Narayan; Neogi, Debatra Narayan; Bhawmick, Rupa; Bandyopadhyay, Pinaki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5536 - o5538
• a: 21.891 ± 0.004 Å
• b: 5.1073 ± 0.0008 Å
• c: 35.918 ± 0.006 Å
• α: 90°
• β: 107.291 ± 0.007°
• γ: 90°
• Cell volume: 3834.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1014
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes