Information card for entry 2102602

Structure parameters

• Chemical name: N-(4-chlorobenzylidene)-4-methylaniline
• Formula: C14 H12 Cl N
• Calculated formula: C14 H12 Cl N
• Title of publication: Conformational change of <i>N</i>-benzylideneanilines in crystals
• Authors of publication: Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: 589 - 597
• a: 5.9174 ± 0.0005 Å
• b: 7.2879 ± 0.0006 Å
• c: 13.7049 ± 0.00011 Å
• α: 90°
• β: 99.233 ± 0.002°
• γ: 90°
• Cell volume: 583.37 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes