Information card for entry 2218862

Structure parameters

• Chemical name: N,N'-Bis(4-bromobenzylidene)ethane-1,2-diamine
• Formula: C16 H14 Br2 N2
• Calculated formula: C16 H14 Br2 N2
• SMILES: Brc1ccc(cc1)/C=N/CC/N=C/c1ccc(cc1)Br
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-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: o1374 - o1375
• a: 13.8417 ± 0.0005 Å
• b: 7.4796 ± 0.0003 Å
• c: 7.1531 ± 0.0003 Å
• α: 90°
• β: 95.692 ± 0.001°
• γ: 90°
• Cell volume: 736.91 ± 0.05 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: 0.0379
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes