Information card for entry 7111201

Structure parameters

• Chemical name: 1,6-hexanediamide
• Formula: C6 H12 N2 O2
• Calculated formula: C6 H12 N2 O2
• SMILES: C(=O)(CCCCC(=O)N)N
• Title of publication: Differential evolution: crystal structure determination of a triclinic polymorph of adipamide from powder diffraction data
• Authors of publication: Seaton, Colin C.; Tremayne, Maryjane
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 880
• a: 5.1097 ± 0.0002 Å
• b: 5.5722 ± 0.0002 Å
• c: 7.0473 ± 0.0003 Å
• α: 69.575 ± 0.001°
• β: 87.12 ± 0.003°
• γ: 75.465 ± 0.003°
• Cell volume: 181.865 ± 0.013 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• RFsqd: 0.1412
• Goodness-of-fit parameter for all reflections: 5.448
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: laboratory
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No