Information card for entry 2218823

Structure parameters

• Chemical name: 2-[(E)-(5-Amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-bromophenol
• Formula: C27 H19 Br N4 O
• Calculated formula: C27 H19 Br N4 O
• SMILES: Brc1ccc(O)c(c1)/C=N/c1ccc2nc(c(nc2c1N)c1ccccc1)c1ccccc1
• Title of publication: 2-[(<i>E</i>)-(5-Amino-2,3-diphenylquinoxalin-6-yl)iminomethyl]-4-bromophenol
• Authors of publication: Fun, Hoong-Kun; Kia, Reza; Raithby, Paul R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1271 - o1272
• a: 22.923 ± 0.005 Å
• b: 7.344 ± 0.005 Å
• c: 12.573 ± 0.005 Å
• α: 90°
• β: 92.07 ± 0.005°
• γ: 90°
• Cell volume: 2115.2 ± 1.7 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1129
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes