Information card for entry 2217744

Structure parameters

• Chemical name: N'-tert-Butyl-5-(4-chlorophenyl)furan-2-carbohydrazide
• Formula: C15 H17 Cl N2 O2
• Calculated formula: C15 H17 Cl N2 O2
• SMILES: Clc1ccc(cc1)c1oc(cc1)C(=O)NNC(C)(C)C
• Title of publication: <i>N</i>'-<i>tert</i>-Butyl-5-(4-chlorophenyl)furan-2-carbohydrazide
• Authors of publication: Li, Xi-Chen; Li, Ying; Cui, Zi-Ning; Yang, Xin-Ling; Ling, Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o561
• a: 9.377 ± 0.0007 Å
• b: 9.7861 ± 0.0007 Å
• c: 16.0119 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1469.32 ± 0.19 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes