Information card for entry 2238628

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(3-bromo-2-hydroxybenzylidene)propane-1,3-diamine
• Formula: C17 H16 Br2 N2 O2
• Calculated formula: C17 H16 Br2 N2 O2
• SMILES: Oc1c(cccc1Br)/C=N/CCC/N=C/c1cccc(c1O)Br
• Title of publication: <i>N</i>,<i>N</i>'-Bis(3-bromo-2-hydroxybenzylidene)propane-1,3-diamine
• Authors of publication: Wang, Xiao-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1584
• a: 12.779 ± 0.001 Å
• b: 10.1894 ± 0.0008 Å
• c: 14.3953 ± 0.0012 Å
• α: 90°
• β: 113.744 ± 0.002°
• γ: 90°
• Cell volume: 1715.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0835
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No