Information card for entry 2238303

Structure parameters

• Chemical name: <i>rac</i>-(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(2-chlorobenzylidene)cyclohexane-1,2-diamine
• Formula: C20 H20 Cl2 N2
• Calculated formula: C20 H20 Cl2 N2
• SMILES: Clc1c(/C=N/[C@H]2[C@H](/N=C/c3c(Cl)cccc3)CCCC2)cccc1.Clc1c(/C=N/[C@@H]2[C@@H](/N=C/c3c(Cl)cccc3)CCCC2)cccc1
• Title of publication: <i>rac</i>-(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(2-chlorobenzylidene)cyclohexane-1,2-diamine
• Authors of publication: Warad, Ismail; Al-Noaimi, Mousa; Haddad, Salim F.; Al-Demeri, Yasmin; Hammouti, Belkheir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1075
• a: 5.9029 ± 0.0005 Å
• b: 19.5613 ± 0.0013 Å
• c: 16.1662 ± 0.0011 Å
• α: 90°
• β: 93.493 ± 0.007°
• γ: 90°
• Cell volume: 1863.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0735
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes