Information card for entry 2210453

Structure parameters

• Common name: 4-cyano-N-[4-n-decyloxy-benzylidene]aniline
• Chemical name: 4-[4-(n-Decyloxy)benzylideneamino]benzonitrile
• Formula: C24 H30 N2 O
• Calculated formula: C24 H30 N2 O
• SMILES: O(c1ccc(/C=N\c2ccc(cc2)C#N)cc1)CCCCCCCCCC
• Title of publication: 4-[4-(<i>n</i>-Decyloxy)benzylideneamino]benzonitrile
• Authors of publication: Rajnikant; Dinesh; Rajinder K. Bamzai; Tej K. Razdan; D. Singh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3662 - o3663
• a: 8.564 ± 0.004 Å
• b: 9.571 ± 0.002 Å
• c: 14.114 ± 0.003 Å
• α: 101.56 ± 0.02°
• β: 91.68 ± 0.03°
• γ: 103.69 ± 0.02°
• Cell volume: 1097.6 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1099
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes