Information card for entry 2216348

Structure parameters

• Chemical name: 2-(1<i>H</i>-Benzotriazol-1-yl)-<i>N'</i>-(2-hydroxybenzylidene)acetohydrazide
• Formula: C15 H13 N5 O2
• Calculated formula: C15 H13 N5 O2
• SMILES: Oc1c(cccc1)/C=N/NC(=O)Cn1nnc2c1cccc2
• Title of publication: 2-(1<i>H</i>-Benzotriazol-1-yl)-<i>N</i>-(2-hydroxybenzylidene)acetohydrazide
• Authors of publication: Zhi-Qiang Shi; Ning-Ning Ji; Ze-Bao Zheng; Ji-Kun Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4642 - o4642
• a: 10.644 ± 0.003 Å
• b: 4.4834 ± 0.0012 Å
• c: 15.807 ± 0.004 Å
• α: 90°
• β: 105.672 ± 0.006°
• γ: 90°
• Cell volume: 726.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes