Information card for entry 7226334

Structure parameters

• Chemical name: (Z)-3-(4-(dimethylamino)phenyl)-2-(pyridin-4-yl)acrylonitrile
• Formula: C16 H15 N3
• Calculated formula: C16 H15 N3
• SMILES: CN(C)c1ccc(cc1)/C=C(\C#N)c1ccncc1
• Title of publication: Changes in the luminescence emission of α,β-unsaturated acrylonitrile derivatives: morphology, polymorphism and solvent effect
• Authors of publication: Percino, M. Judith; Cerón, Margarita; Ceballos, Paulina; Soriano-Moro, Guillermo; Rodríguez, Oscar; Chapela, Víctor M.; Castro, M. Eugenia; Bonilla-Cruz, J.; Siegler, Maxime A.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 39
• Pages of publication: 7554
• a: 7.0445 ± 0.0002 Å
• b: 17.1474 ± 0.0005 Å
• c: 10.9776 ± 0.0004 Å
• α: 90°
• β: 107.251 ± 0.004°
• γ: 90°
• Cell volume: 1266.39 ± 0.07 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No