Information card for entry 2222224

Structure parameters

• Chemical name: 2-(1<i>H</i>-Benzotriazol-1-yl)acetohydrazide
• Formula: C8 H9 N5 O
• Calculated formula: C8 H9 N5 O
• SMILES: O=C(NN)Cn1nnc2ccccc12
• Title of publication: 2-(1<i>H</i>-Benzotriazol-1-yl)acetohydrazide
• Authors of publication: Zhang, Yan-Xia; Shi, Zhi-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1538
• a: 5.1434 ± 0.0009 Å
• b: 6.5885 ± 0.0012 Å
• c: 25.754 ± 0.005 Å
• α: 90°
• β: 94.227 ± 0.003°
• γ: 90°
• Cell volume: 870.4 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes