Information card for entry 4509060

Structure parameters

• Chemical name: N-(2-cyanobenzylidene)-4-methylaniline
• Formula: C15 H12 N2
• Calculated formula: C15 H12 N2
• Title of publication: Bridge Orientation as a Selector of Intermolecular Interactions in a Series of Crystalline Isomeric Benzylideneanilines
• Authors of publication: Ojala, William H.; Lystad, Kendra M.; Deal, Tera L.; Engebretson, Jessica E.; Spude, Jill M.; Balidemaj, Barjeta; Ojala, Charles R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 964
• a: 7.0689 ± 0.0011 Å
• b: 15.98 ± 0.003 Å
• c: 22.18 ± 0.004 Å
• α: 75.792 ± 0.003°
• β: 83.549 ± 0.003°
• γ: 88.317 ± 0.003°
• Cell volume: 2413.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No