Information card for entry 2221611

Structure parameters

• Chemical name: 3-[4-(Dimethylamino)phenyl]-1-(3-pyridyl)prop-2-en-1-one
• Formula: C16 H16 N2 O
• Calculated formula: C16 H16 N2 O
• SMILES: O=C(c1cccnc1)/C=C/c1ccc(N(C)C)cc1
• Title of publication: 3-[4-(Dimethylamino)phenyl]-1-(3-pyridyl)prop-2-en-1-one
• Authors of publication: Jayarama, A.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1066
• a: 14.6672 ± 0.0006 Å
• b: 11.0644 ± 0.0004 Å
• c: 16.7272 ± 0.0006 Å
• α: 90°
• β: 107.205 ± 0.003°
• γ: 90°
• Cell volume: 2593.08 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes