Information card for entry 2004353

Structure parameters

• Common name: 3,3-dimethylglutaronitrile
• Chemical name: 1,5-dicyano-3,3-dimethylpentane
• Formula: C7 H10 N2
• Calculated formula: C7 H10 N2
• SMILES: N#CCC(CC#N)(C)C
• Title of publication: 3,3-Dimethylglutaronitrile
• Authors of publication: Héroux, A.; Brisse, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 224 - 226
• a: 18.148 ± 0.002 Å
• b: 10.424 ± 0.002 Å
• c: 12.115 ± 0.002 Å
• α: 90°
• β: 90.15 ± 0.02°
• γ: 90°
• Cell volume: 2291.8 ± 0.6 ų
• Cell temperature: 223 ± 5 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.1215
• Weighted residual factors for significantly intense reflections: 0.1168
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No