Information card for entry 2212095

Structure parameters

• Chemical name: 2'-(1,3-Benzodioxol-5-ylmethylene)-2-methoxybenzohydrazide
• Formula: C16 H14 N2 O4
• Calculated formula: C16 H14 N2 O4
• SMILES: O=C(NN=Cc1ccc2OCOc2c1)c1c(OC)cccc1
• Title of publication: 2'-(1,3-Benzodioxol-5-ylmethylene)-2-methoxybenzohydrazide
• Authors of publication: Jing, Zuo-Liang; Yu, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o509 - o510
• a: 7.9913 ± 0.0005 Å
• b: 12.5941 ± 0.0007 Å
• c: 14.1263 ± 0.001 Å
• α: 90°
• β: 102.231 ± 0.003°
• γ: 90°
• Cell volume: 1389.45 ± 0.15 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes