Information card for entry 2211700

Structure parameters

• Chemical name: N,N'-Bis(4-chlorobenzylidene)propane-1,2-diamine
• Formula: C17 H16 Cl2 N2
• Calculated formula: C17 H16 Cl2 N2
• SMILES: Clc1ccc(/C=N/C(C\N=C\c2ccc(Cl)cc2)C)cc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)propane-1,2-diamine
• Authors of publication: Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Xia, Hai-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o141 - o143
• a: 7.731 ± 0.003 Å
• b: 9.301 ± 0.003 Å
• c: 11.97 ± 0.003 Å
• α: 81.031 ± 0.003°
• β: 72.354 ± 0.002°
• γ: 82.339 ± 0.003°
• Cell volume: 806.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0843
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1152
• 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