Information card for entry 2223823

Structure parameters

• Chemical name: Methyl 3-(3-pyridylmethylene)carbazate
• Formula: C8 H9 N3 O2
• Calculated formula: C8 H9 N3 O2
• SMILES: O(C(=O)N/N=C/c1cccnc1)C
• Title of publication: Methyl 3-(3-pyridylmethylene)carbazate
• Authors of publication: Li, Yu-Feng; Liu, Hai-Xing; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2959
• a: 10.585 ± 0.002 Å
• b: 10.019 ± 0.002 Å
• c: 16.311 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1729.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes