Information card for entry 2234154

Structure parameters

• Chemical name: (2<i>E</i>)-3-(3-Nitrophenyl)-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
• Formula: C20 H20 N2 O3
• Calculated formula: C20 H20 N2 O3
• SMILES: O=C(c1ccc(N2CCCCC2)cc1)/C=C/c1cccc(N(=O)=O)c1
• Title of publication: (2<i>E</i>)-3-(3-Nitrophenyl)-1-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
• Authors of publication: Fun, Hoong-Kun; Chia, Tze Shyang; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o974
• a: 7.4268 ± 0.0012 Å
• b: 11.3884 ± 0.0018 Å
• c: 39.447 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3336.4 ± 0.9 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes