Information card for entry 2239859

Structure parameters

• Chemical name: (<i>E</i>)-2-(4-Methoxystyryl)-2,3-dihydro-1<i>H</i>-perimidine acetonitrile monosolvate
• Formula: C22 H21 N3 O
• Calculated formula: C22 H21 N3 O
• SMILES: O(c1ccc(cc1)/C=C/C1Nc2cccc3cccc(N1)c23)C.N#CC
• Title of publication: Crystal structure of (<i>E</i>)-2-(4-methoxystyryl)-2,3-dihydro-1<i>H</i>-perimidine acetonitrile monosolvate
• Authors of publication: Manimekalai, A.; Vijayalakshmi, N.; Selvanayagam, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o959
• a: 7.8128 ± 0.0007 Å
• b: 8.4641 ± 0.0007 Å
• c: 14.7427 ± 0.0014 Å
• α: 79.513 ± 0.007°
• β: 83.861 ± 0.007°
• γ: 77.076 ± 0.007°
• Cell volume: 932.11 ± 0.15 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes