Information card for entry 2001187

Structure parameters

• Chemical name: 3-cyano-4-(2,4-dimethoxyphenyl)-1,1-diphenyl-2-azabutadiene
• Formula: C24 H20 N2 O2
• Calculated formula: C24 H20 N2 O2
• SMILES: N#CC(=C/c1ccc(cc1OC)OC)/N=C(c1ccccc1)c1ccccc1
• Title of publication: Structures of 1,1-diphenyl-2-aza-1,3-butadienes. IV. 3-Cyano-4-(2,4-dichlorophenyl)-1,1-diphenyl-2-aza-1,3-butadiene (24CLPD) and 3-cyano-4-(2,4-dimethoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene (24MOPD)
• Authors of publication: Macíček, J.; Angelova, O.; Dryanska, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 2169 - 2173
• a: 9.991 ± 0.004 Å
• b: 10.012 ± 0.003 Å
• c: 11.763 ± 0.002 Å
• α: 113.46 ± 0.02°
• β: 108.65 ± 0.02°
• γ: 96.59 ± 0.03°
• Cell volume: 982.2 ± 0.6 ų
• Cell temperature: 292 K
• Ambient diffraction temperature: 292 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: 0.408
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.029
• Goodness-of-fit parameter for all reflections: 2.3
• Goodness-of-fit parameter for significantly intense reflections: 1.573
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No