Information card for entry 2008284

Structure parameters

• Formula: C13 H15 N3
• Calculated formula: C13 H15 N3
• SMILES: N#C\C(=C1/C=C(N2CCCC2)CCC1)C#N
• Title of publication: 2-[3-(Pyrrolidin-1-yl)cyclohex-2-en-1-ylidene]propanedinitrile
• Authors of publication: S. Selladurai; R. Chandrasekaran; L. Govindasamy; P. Murugan; V. T. Ramakrishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 401 - 403
• a: 7.118 ± 0.001 Å
• b: 20.894 ± 0.001 Å
• c: 7.768 ± 0.002 Å
• α: 90°
• β: 92.2 ± 0.03°
• γ: 90°
• Cell volume: 1154.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.1881
• Weighted residual factors for significantly intense reflections: 0.172
• Goodness-of-fit parameter for all reflections: 0.994
• Goodness-of-fit parameter for significantly intense reflections: 1.013
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes