Information card for entry 1569787

Structure parameters

• Common name: 4-(Allyloxy)benzohydrazide
• Chemical name: 4-(Prop-2-en-1-yloxy)benzohydrazide
• Formula: C10 H12 N2 O2
• Calculated formula: C10 H12 N2 O2
• SMILES: O=C(NN)c1ccc(OCC=C)cc1
• Title of publication: 4-(All-yloxy)benzohydrazide.
• Authors of publication: Khan, Sultana Shakila; Howlader, Md Belayet Hossain; Miyatake, Ryuta; Sheikh, Md Chanmiya; Zangrando, Ennio
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: Pt 1
• Pages of publication: x221195
• a: 5.967 ± 0.004 Å
• b: 4.092 ± 0.003 Å
• c: 20.358 ± 0.014 Å
• α: 90°
• β: 93.08 ± 0.018°
• γ: 90°
• Cell volume: 496.4 ± 0.6 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No