Information card for entry 2019090

Structure parameters

• Chemical name: (<i>E</i>)-2-(2-(2-chlorobenzylidene)hydrazinyl)quinoxaline
• Formula: C15 H11 Cl N4
• Calculated formula: C15 H11 Cl N4
• SMILES: Clc1ccccc1/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: 6.687 ± 0.0007 Å
• b: 7.2591 ± 0.0008 Å
• c: 13.815 ± 0.0016 Å
• α: 77.957 ± 0.006°
• β: 77.357 ± 0.006°
• γ: 75.56 ± 0.005°
• Cell volume: 625.19 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.1076
• Weighted residual factors for significantly intense reflections: 0.3071
• Weighted residual factors for all reflections included in the refinement: 0.3089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes