Information card for entry 7105721

Structure parameters

• Formula: C9 H22 N2 O4
• Calculated formula: C9 H22 N2 O4
• SMILES: OCC(NC(=O)[O-])(C)C.OCC([NH3+])(C)C
• Title of publication: Crystal Structure and Electronic Properties of 2-Amino-2-Methyl-1-Propanol (AMP) Carbamate
• Authors of publication: Eunhee Jo; Y0ung Ho Jhon; Sang Choi; Jae-Goo Shim; Jun-Han Kim; Ji Hyun Lee; In-Y0ung Lee; Kyung-Ryong Jang; Jaheon Kim
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 9158
• a: 6.0537 ± 0.0003 Å
• b: 9.9108 ± 0.0006 Å
• c: 20.4773 ± 0.0012 Å
• α: 90°
• β: 98.102 ± 0.004°
• γ: 90°
• Cell volume: 1216.31 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No