Information card for entry 2217906

Structure parameters

• Chemical name: 2-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-<i>N</i>'-cyclopentylideneacetohydrazide
• Formula: C13 H15 N5 O
• Calculated formula: C13 H15 N5 O
• SMILES: O=C(Cn1nnc2c1cccc2)NN=C1CCCC1
• Title of publication: 2-(1<i>H</i>-1,2,3-Benzotriazol-1-yl)-<i>N</i>'-cyclopentylideneacetohydrazide
• Authors of publication: Ji, Ning-Ning; Shi, Zhi-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o655
• a: 11.926 ± 0.003 Å
• b: 9.126 ± 0.002 Å
• c: 12.095 ± 0.003 Å
• α: 90°
• β: 93.174 ± 0.005°
• γ: 90°
• Cell volume: 1314.4 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.1353
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes