Information card for entry 2238611

Structure parameters

• Chemical name: <i>tert</i>-Butyl <i>N</i>-{[5-(5-oxohexanamido)pyridin-2-yl]amino}carbamate
• Formula: C16 H24 N4 O4
• Calculated formula: C16 H24 N4 O4
• SMILES: O=C(Nc1ccc(nc1)NNC(=O)OC(C)(C)C)CCCC(=O)C
• Title of publication: <i>tert</i>-Butyl <i>N</i>-{[5-(5-oxohexanamido)pyridin-2-yl]amino}carbamate
• Authors of publication: Ronga, Luisa; Pinaud, Noel; Rimbault, Charlotte; Marchivie, Mathieu; Guillon, Jean
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1531 - o1532
• a: 6.2598 ± 0.0004 Å
• b: 9.2822 ± 0.0006 Å
• c: 16.0437 ± 0.0012 Å
• α: 84.387 ± 0.006°
• β: 88.957 ± 0.006°
• γ: 79.358 ± 0.006°
• Cell volume: 911.79 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No