Information card for entry 2223100

Structure parameters

• Chemical name: <i>N</i>'-(2-Furylmethylene)nicotinohydrazide
• Formula: C11 H9 N3 O2
• Calculated formula: C11 H9 N3 O2
• SMILES: O=C(c1cccnc1)N/N=C/c1ccco1
• Title of publication: <i>N</i>'-(2-Furylmethylene)nicotinohydrazide
• Authors of publication: Qian, Heng-yu; Yin, Zhi-gang; Zhang, Chun-xia; Yao, Zhi-qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2260
• a: 17.4363 ± 0.0003 Å
• b: 16.9143 ± 0.0003 Å
• c: 7.9639 ± 0.0001 Å
• α: 90°
• β: 115.326 ± 0.001°
• γ: 90°
• Cell volume: 2123 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes