Information card for entry 2200882

Structure parameters

• Chemical name: 3-Amino-4'-(N,N-diethylamino)-5-methylbiphenyl-2,4-dicarbonitrile
• Formula: C19 H20 N4
• Calculated formula: C19 H20 N4
• SMILES: Nc1c(c(c2ccc(N(CC)CC)cc2)cc(c1C#N)C)C#N
• Title of publication: A monoclinic polymorph of 3-amino-4'-(<i>N,N</i>-diethylamino)-5-methylbiphenyl-2,4-dicarbonitrile
• Authors of publication: A. Subbiah Pandi; D. Velmurugan; S. Shanmuga Sundara Raj; Hoong-Kun Fun; V. Raghukumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o222 - o223
• a: 9.2925 ± 0.0004 Å
• b: 10.8655 ± 0.0003 Å
• c: 16.7229 ± 0.0005 Å
• α: 90°
• β: 90.367 ± 0.002°
• γ: 90°
• Cell volume: 1688.44 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.212
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes