Information card for entry 2019095

Structure parameters

• Chemical name: (<i>E</i>)-2-(2-(4-bromobenzylidene)hydrazinyl)quinoxaline
• Formula: C15 H11 Br N4
• Calculated formula: C15 H11 Br N4
• SMILES: Brc1ccc(cc1)/C=N/Nc1cnc2c(n1)cccc2
• Title of publication: Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues
• Authors of publication: Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: 920 - 926
• a: 12.002 ± 0.005 Å
• b: 9.17 ± 0.003 Å
• c: 12.617 ± 0.005 Å
• α: 90°
• β: 100.004 ± 0.006°
• γ: 90°
• Cell volume: 1367.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0658
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes