Information card for entry 2219754

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-[2-(4-Chloro-3-nitrophenylsulfonyloxy)-3- methoxybenzylidene]isonicotinohydrazide acetic acid tetrasolvate
• Formula: C28 H31 Cl N4 O15 S
• Calculated formula: C28 H31 Cl N4 O15 S
• SMILES: S(=O)(=O)(Oc1c(cccc1OC)C=NNC(=O)c1ccncc1)c1cc(N(=O)=O)c(Cl)cc1.C(=O)(O)C.C(=O)(O)C.C(=O)(O)C.C(=O)(O)C
• Title of publication: (<i>E</i>)-<i>N</i>'-[2-(4-Chloro-3-nitrophenylsulfonyloxy)-3-methoxybenzylidene]isonicotinohydrazide acetic acid tetrasolvate
• Authors of publication: Zhen, Xiao-Li; Li, Xiao-Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2170
• a: 8.0565 ± 0.0016 Å
• b: 13.876 ± 0.003 Å
• c: 16.097 ± 0.003 Å
• α: 79.01 ± 0.03°
• β: 76.01 ± 0.03°
• γ: 75.44 ± 0.03°
• Cell volume: 1673.8 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes