Information card for entry 2200007

Structure parameters

• Chemical name: N-(2-Hydroxyethyl)pyrazine-2-carboxamide
• Formula: C7 H9 N3 O2
• Calculated formula: C7 H9 N3 O2
• SMILES: n1c(cncc1)C(=O)NCCO
• Title of publication: <i>N</i>-(2-Hydroxyethyl)pyrazine-2-carboxamide
• Authors of publication: Zhang, Ming-Hua; Zheng, Shu-Ling; Zhou, Jian; Liu, Shang-Yuan; Zhao, Zeng-Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3568 - o3570
• a: 5.3054 ± 0.0012 Å
• b: 7.8287 ± 0.0019 Å
• c: 19.88 ± 0.005 Å
• α: 86.953 ± 0.004°
• β: 87.262 ± 0.004°
• γ: 74.451 ± 0.004°
• Cell volume: 793.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes