Information card for entry 2007831

Structure parameters

• Formula: C17 H16 Br2 N2 O2
• Calculated formula: C17 H16 Br2 N2 O2
• SMILES: Oc1ccc(Br)cc1/C=N/CCC/N=C/c1cc(Br)ccc1O
• Title of publication: <i>N</i>,<i>N</i>'-Bis(5-bromo-2-hydroxybenzylidene)-1,3-propanediamine
• Authors of publication: Elerman, Yalc̨in; Elmali, Ayhan; Kabak, Mehmet; Svoboda, Ingrid
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1701 - 1703
• a: 11.438 ± 0.002 Å
• b: 8.902 ± 0.001 Å
• c: 17.189 ± 0.003 Å
• α: 90°
• β: 96.35 ± 0.01°
• γ: 90°
• Cell volume: 1739.5 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.0727
• Goodness-of-fit parameter for all reflections: 0.98
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No