Information card for entry 2211113

Structure parameters

• Chemical name: 1-(4-Aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one
• Formula: C15 H12 Cl N O
• Calculated formula: C15 H12 Cl N O
• SMILES: Clc1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1
• Title of publication: 1-(4-Aminophenyl)-3-(4-chlorophenyl)prop-2-en-1-one
• Authors of publication: Jeannie Bee-Jan Teh; P. S. Patil; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5150 - o5151
• a: 5.7596 ± 0.0001 Å
• b: 30.5263 ± 0.0006 Å
• c: 7.1404 ± 0.0002 Å
• α: 90°
• β: 100.725 ± 0.001°
• γ: 90°
• Cell volume: 1233.49 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes