Information card for entry 2212106

Structure parameters

• Chemical name: 2'-(1,3-Benzodioxol-5-ylmethylene)furan-2-carbohydrazide
• Formula: C13 H10 N2 O4
• Calculated formula: C13 H10 N2 O4
• SMILES: O=C(N\N=C\c1cc2OCOc2cc1)c1occc1
• Title of publication: 2'-(1,3-Benzodioxol-5-ylmethylene)furan-2-carbohydrazide
• Authors of publication: Zhou, Qing-Li; Wang, Chang-Lu; Jing, Zuo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o898 - o899
• a: 9.8351 ± 0.0007 Å
• b: 11.3996 ± 0.0008 Å
• c: 10.426 ± 0.0007 Å
• α: 90°
• β: 95.079 ± 0.003°
• γ: 90°
• Cell volume: 1164.33 ± 0.14 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes