Information card for entry 7214426

Structure parameters

• Chemical name: nonylamine
• Formula: C9 H21 N
• Calculated formula: C9 H21 N
• SMILES: NCCCCCCCCC
• Title of publication: Competition between hydrogen bonding and dispersion interactions in the crystal structures of the primary amines
• Authors of publication: Maloney, Andrew G. P.; Wood, Peter A.; Parsons, Simon
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 3867
• a: 5.5458 ± 0.0002 Å
• b: 50.6527 ± 0.0017 Å
• c: 7.0521 ± 0.0002 Å
• α: 90°
• β: 90.04 ± 0.002°
• γ: 90°
• Cell volume: 1981 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0924
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.1425
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No