Information card for entry 8102221

Structure parameters

• Chemical name: (2,6-diisopropyl-phenyl)-pyridin-2-ylmethyl-amine
• Formula: C18 H24 N2
• Calculated formula: C18 H24 N2
• SMILES: c1(c(cccc1C(C)C)C(C)C)NCc1ccccn1
• Title of publication: Crystal structure of (2,6-diisopropyl-phenyl)-pyridin-2-ylmethyl-amine, C18H24N2
• Authors of publication: Awal Noor; Germund Glatz; Torsten Irrgang; Rhett Kempe
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 51
• a: 8.352 ± 0.002 Å
• b: 9.604 ± 0.002 Å
• c: 10.91 ± 0.002 Å
• α: 74.91 ± 0.02°
• β: 83.56 ± 0.02°
• γ: 70.71 ± 0.02°
• Cell volume: 797.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No