Information card for entry 2219588

Structure parameters

• Chemical name: 2-[(4-benzhydrylpiperazin-1-yl)methyl]acrylonitrile
• Formula: C21 H23 N3
• Calculated formula: C21 H23 N3
• SMILES: N#CC(=C)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
• Title of publication: 2-[(4-Benzhydrylpipérazin-1-yl)méthyl]acrylonitrile
• Authors of publication: Ben Amor, Fatma; Ould M'hamed, Mohamed; Mrabet, Hédi; Driss, Ahmed; Efrit, Mohamed Lotfi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1872
• a: 17.443 ± 0.005 Å
• b: 6.183 ± 0.003 Å
• c: 17.717 ± 0.005 Å
• α: 90°
• β: 107 ± 0.03°
• γ: 90°
• Cell volume: 1827.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1458
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes