Information card for entry 2242871

Structure parameters

• Chemical name: (<i>Z</i>)-3-(4-Chlorophenyl)-2-phenylacrylonitrile
• Formula: C15 H10 Cl N
• Calculated formula: C15 H10 Cl N
• Title of publication: Quantitative analysis of weak non-covalent interactions in (<i>Z</i>)-3-(4-chlorophenyl)-2-phenylacrylonitrile: insights from <i>PIXEL</i> and Hirshfeld surface analysis
• Authors of publication: Udayakumar, Mani; Cerón, Margarita; Ceballos, Paulina; Percino, Judith; Thamotharan, Subbiah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• Pages of publication: 499 - 505
• a: 13.3417 ± 0.0008 Å
• b: 7.103 ± 0.0005 Å
• c: 25.1418 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2382.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes