Information card for entry 2228050

Structure parameters

• Chemical name: 2-(4-Chlorophenoxy)-<i>N</i>'-[2-(4-chlorophenoxy)acetyl]acetohydrazide monohydrate
• Formula: C16 H16 Cl2 N2 O5
• Calculated formula: C16 H16 Cl2 N2 O5
• SMILES: O=C(COc1ccc(cc1)Cl)NNC(=O)COc1ccc(cc1)Cl.O
• Title of publication: 2-(4-Chlorophenoxy)-<i>N</i>'-[2-(4-chlorophenoxy)acetyl]acetohydrazide monohydrate
• Authors of publication: Chen, Ting; Tan, Xiaosong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2829
• a: 4.8462 ± 0.0009 Å
• b: 5.4411 ± 0.001 Å
• c: 33.521 ± 0.006 Å
• α: 90°
• β: 90.84 ± 0.003°
• γ: 90°
• Cell volume: 883.8 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes