Information card for entry 2213837

Structure parameters

• Chemical name: <i>N</i>'-(4-Fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide monohydrate
• Formula: C17 H19 F N2 O6
• Calculated formula: C17 H19 F N2 O6
• SMILES: c1(c(c(cc(c1)C(=O)NNC(=O)c1ccc(cc1)F)OC)OC)OC.O
• Title of publication: <i>N</i>'-(4-Fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide monohydrate
• Authors of publication: Muhammad Zareef; Rashid Iqbal; Ghulam Qadeer; Muhammad Arfan; Wai-Yeung Wong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3052 - o3052
• a: 8.3845 ± 0.0005 Å
• b: 13.2688 ± 0.0009 Å
• c: 31.833 ± 0.002 Å
• α: 90°
• β: 94.615 ± 0.001°
• γ: 90°
• Cell volume: 3530 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes