Information card for entry 2234293

Structure parameters

• Chemical name: 3-Methyl-1-benzofuran-2-carbohydrazide
• Formula: C10 H10 N2 O2
• Calculated formula: C10 H10 N2 O2
• SMILES: N(N)C(=O)c1oc2c(c1C)cccc2
• Title of publication: 3-Methyl-1-benzofuran-2-carbohydrazide
• Authors of publication: Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1255 - o1256
• a: 10.9391 ± 0.0004 Å
• b: 18.1257 ± 0.0006 Å
• c: 14.1818 ± 0.0005 Å
• α: 90°
• β: 94.157 ± 0.002°
• γ: 90°
• Cell volume: 2804.55 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes