Information card for entry 2231382

Structure parameters

• Chemical name: (<i>E</i>)-Methyl <i>N</i>'-[(1<i>H</i>-indol-3-yl)methylidene]hydrazinecarboxylate 0.25-hydrate
• Formula: C11 H11.5 N3 O2.25
• Calculated formula: C11 H11.5 N3 O2.25
• SMILES: c1cccc2c1[nH]cc2/C=N/NC(=O)OC.O
• Title of publication: (<i>E</i>)-Methyl <i>N</i>'-[(1<i>H</i>-indol-3-yl)methylidene]hydrazinecarboxylate 0.25-hydrate
• Authors of publication: Lv, Lu-Ping; Yu, Tie-Ming; Yu, Wen-Bo; Hu, Xian-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1956
• a: 27.842 ± 0.002 Å
• b: 11.7574 ± 0.0011 Å
• c: 18.565 ± 0.002 Å
• α: 90°
• β: 130.558 ± 0.005°
• γ: 90°
• Cell volume: 4617.2 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes