Information card for entry 2218865

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(3-bromobenzylidene)ethane-1,2-diamine
• Formula: C16 H14 Br2 N2
• Calculated formula: C16 H14 Br2 N2
• SMILES: Brc1cccc(c1)/C=N/CC/N=C/c1cccc(c1)Br
• Title of publication: <i>N</i>,<i>N</i>'-Bis(3-bromobenzylidene)ethane-1,2-diamine
• Authors of publication: Fun, Hoong-Kun; Mirkhani, Valiollah; Kia, Reza; Vartooni, Akbar Rostami
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1471
• a: 6.2578 ± 0.0001 Å
• b: 4.6549 ± 0.0001 Å
• c: 25.3272 ± 0.0005 Å
• α: 90°
• β: 93.592 ± 0.001°
• γ: 90°
• Cell volume: 736.32 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0466
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes