Information card for entry 1545117

Structure parameters

• Chemical name: 2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)
• Formula: C20 H14 Br2 N2 O2
• Calculated formula: C20 H14 Br2 N2 O2
• SMILES: c1(ccccc1/N=C/c1c(ccc(c1)Br)O)/N=C/c1c(ccc(c1)Br)O
• Title of publication: 2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol)
• Authors of publication: Dekar, Souad; Bendia, Sabrina; Ouari, Kamel
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 1
• Pages of publication: x170077
• a: 7.4379 ± 0.0004 Å
• b: 18.736 ± 0.0011 Å
• c: 25.4469 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3546.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes