Information card for entry 2016325

Structure parameters

• Chemical name: (E)-N'-[5-Chloro-3-methoxy-2-(4- methylphenylsulfonyloxy)benzylidene]isonicotinohydrazide acetic acid solvate
• Formula: C23 H22 Cl N3 O7 S
• Calculated formula: C23 H22 Cl N3 O7 S
• SMILES: n1ccc(cc1)C(=O)N/N=C/c1cc(Cl)cc(c1OS(=O)(=O)c1ccc(cc1)C)OC.C(=O)(O)C
• Title of publication: (<i>E</i>)-<i>N</i>'-[5-Chloro-3-methoxy-2-(4-methylphenylsulfonyloxy)benzylidene]isonicotinohydrazide acetic acid solvate: hydrogen-bonded network of alternating <i>R</i>^4^~4~(42), <i>R</i>^5^~5~(33) and <i>R</i>^6^~6~(40) rings
• Authors of publication: Diao, Chun-Hua; Fan, Zhi; Chen, Xin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o717 - o719
• a: 14.886 ± 0.003 Å
• b: 23.19 ± 0.004 Å
• c: 7.0638 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2438.5 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes