Information card for entry 4501387

Structure parameters

• Formula: C7 H10 N2 O2
• Calculated formula: C7 H10 N2 O2
• SMILES: N(c1ccncc1)C(=O)C.O
• Title of publication: Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes
• Authors of publication: Mukherjee, Gargi; Biradha, Kumar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5649
• a: 11.936 ± 0.002 Å
• b: 9.768 ± 0.002 Å
• c: 14.267 ± 0.003 Å
• α: 90°
• β: 105.84 ± 0.03°
• γ: 90°
• Cell volume: 1600.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1311
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No