Information card for entry 2234699

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-[3-(4-Chlorobenzoyloxy)benzylidene]pyridine-4- carbohydrazide acetic acid monosolvate monohydrate
• Formula: C22 H20 Cl N3 O6
• Calculated formula: C22 H20 Cl N3 O6
• SMILES: Clc1ccc(cc1)C(=O)Oc1cccc(c1)/C=N/NC(=O)c1ccncc1.O=C(O)C.O
• Title of publication: (<i>E</i>)-<i>N</i>'-[3-(4-Chlorobenzoyloxy)benzylidene]pyridine-4-carbohydrazide acetic acid monosolvate monohydrate
• Authors of publication: Diao, Chun-Hua; Fan, Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1517
• a: 6.6666 ± 0.0015 Å
• b: 7.5437 ± 0.0017 Å
• c: 24.781 ± 0.006 Å
• α: 81.526 ± 0.004°
• β: 82.969 ± 0.004°
• γ: 66.632 ± 0.004°
• Cell volume: 1128.7 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No